 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_B3LYPDBJ-def2SVPDr.in
 Output=36d_RhEn3-ob3_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36d_RhEn3-ob3_STD/Gau-8149.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      8151.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36d_RhEn3-ob3_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0808125561 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.4547140589 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20710 LenP2D=   45897.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  1.13D-05  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:              13.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:11 2021, MaxMem=  5637144576 cpu:              15.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636645459 LenY=  5636399939
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.004256243907    
 DIIS: error= 5.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.004256243907     IErMin= 1 ErrMin= 5.22D-03
 ErrMax= 5.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-02 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.48D-01 WtEn= 5.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 GapD=    0.234 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.48D-03 MaxDP=9.40D-01              OVMax= 1.03D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.72D-03    CP:  1.27D+00
 E= -681.013491040997     Delta-E=       -0.009234797090 Rises=F Damp=F
 DIIS: error= 2.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.013491040997     IErMin= 2 ErrMin= 2.05D-03
 ErrMax= 2.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-03 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.05D-02
 Coeff-Com:  0.903D-01 0.910D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.884D-01 0.912D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=6.80D-04 MaxDP=3.65D-02 DE=-9.23D-03 OVMax= 2.34D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.73D-04    CP:  1.27D+00  1.01D+00
 E= -681.009725083922     Delta-E=        0.003765957076 Rises=F Damp=F
 DIIS: error= 4.45D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.013491040997     IErMin= 2 ErrMin= 2.05D-03
 ErrMax= 4.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-03 BMatP= 1.21D-03
 IDIUse=3 WtCom= 1.30D-01 WtEn= 8.70D-01
 Coeff-Com: -0.906D-02 0.695D+00 0.314D+00
 Coeff-En:   0.000D+00 0.759D+00 0.241D+00
 Coeff:     -0.118D-02 0.751D+00 0.251D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.26D-04 MaxDP=2.58D-02 DE= 3.77D-03 OVMax= 1.27D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.74D-05    CP:  1.28D+00  1.03D+00  4.29D-01
 E= -681.014306740266     Delta-E=       -0.004581656345 Rises=F Damp=F
 DIIS: error= 9.11D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.014306740266     IErMin= 4 ErrMin= 9.11D-04
 ErrMax= 9.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-04 BMatP= 1.21D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.11D-03
 Coeff-Com: -0.856D-02 0.384D+00 0.510D-01 0.574D+00
 Coeff-En:   0.000D+00 0.236D+00 0.000D+00 0.764D+00
 Coeff:     -0.848D-02 0.382D+00 0.506D-01 0.576D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=9.29D-05 MaxDP=5.36D-03 DE=-4.58D-03 OVMax= 2.69D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.27D-05    CP:  1.28D+00  1.03D+00  3.01D-01  9.77D-01
 E= -681.014542161105     Delta-E=       -0.000235420838 Rises=F Damp=F
 DIIS: error= 4.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.014542161105     IErMin= 5 ErrMin= 4.97D-05
 ErrMax= 4.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-06 BMatP= 2.87D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-02 0.458D-01-0.264D-01 0.189D+00 0.793D+00
 Coeff:     -0.170D-02 0.458D-01-0.264D-01 0.189D+00 0.793D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.26D-05 MaxDP=1.06D-03 DE=-2.35D-04 OVMax= 2.61D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.23D-06    CP:  1.28D+00  1.03D+00  2.96D-01  1.03D+00  8.56D-01
 E= -681.014543434589     Delta-E=       -0.000001273484 Rises=F Damp=F
 DIIS: error= 1.76D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.014543434589     IErMin= 6 ErrMin= 1.76D-05
 ErrMax= 1.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-07 BMatP= 1.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.447D-03 0.275D-02-0.170D-01 0.658D-01 0.429D+00 0.520D+00
 Coeff:     -0.447D-03 0.275D-02-0.170D-01 0.658D-01 0.429D+00 0.520D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.49D-06 MaxDP=7.64D-05 DE=-1.27D-06 OVMax= 6.40D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.28D+00  1.03D+00  2.95D-01  1.03D+00  8.61D-01
                    CP:  7.02D-01
 E= -681.014543655562     Delta-E=       -0.000000220973 Rises=F Damp=F
 DIIS: error= 2.45D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.014543655562     IErMin= 7 ErrMin= 2.45D-06
 ErrMax= 2.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-09 BMatP= 2.38D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.580D-04-0.154D-02-0.384D-02 0.955D-02 0.988D-01 0.174D+00
 Coeff-Com:  0.723D+00
 Coeff:     -0.580D-04-0.154D-02-0.384D-02 0.955D-02 0.988D-01 0.174D+00
 Coeff:      0.723D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=7.34D-07 MaxDP=4.27D-05 DE=-2.21D-07 OVMax= 8.47D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.94D-07    CP:  1.28D+00  1.03D+00  2.94D-01  1.03D+00  8.71D-01
                    CP:  7.11D-01  7.89D-01
 E= -681.014543659356     Delta-E=       -0.000000003794 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.014543659356     IErMin= 8 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-10 BMatP= 4.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.724D-05-0.627D-03-0.210D-03-0.923D-03 0.575D-02 0.224D-01
 Coeff-Com:  0.192D+00 0.782D+00
 Coeff:      0.724D-05-0.627D-03-0.210D-03-0.923D-03 0.575D-02 0.224D-01
 Coeff:      0.192D+00 0.782D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=4.38D-06 DE=-3.79D-09 OVMax= 1.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.77D-08    CP:  1.28D+00  1.03D+00  2.94D-01  1.03D+00  8.70D-01
                    CP:  7.22D-01  8.18D-01  9.44D-01
 E= -681.014543659566     Delta-E=       -0.000000000209 Rises=F Damp=F
 DIIS: error= 4.57D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.014543659566     IErMin= 9 ErrMin= 4.57D-08
 ErrMax= 4.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-12 BMatP= 1.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-05-0.579D-04 0.385D-04-0.324D-03-0.128D-02-0.397D-03
 Coeff-Com:  0.190D-01 0.130D+00 0.853D+00
 Coeff:      0.196D-05-0.579D-04 0.385D-04-0.324D-03-0.128D-02-0.397D-03
 Coeff:      0.190D-01 0.130D+00 0.853D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=9.23D-07 DE=-2.09D-10 OVMax= 2.80D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.37D-09    CP:  1.28D+00  1.03D+00  2.94D-01  1.03D+00  8.70D-01
                    CP:  7.21D-01  8.18D-01  9.36D-01  8.84D-01
 E= -681.014543659516     Delta-E=        0.000000000049 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -681.014543659566     IErMin=10 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-13 BMatP= 1.92D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-06 0.417D-05 0.639D-05-0.249D-04-0.443D-03-0.789D-03
 Coeff-Com: -0.155D-02 0.240D-02 0.191D+00 0.810D+00
 Coeff:      0.312D-06 0.417D-05 0.639D-05-0.249D-04-0.443D-03-0.789D-03
 Coeff:     -0.155D-02 0.240D-02 0.191D+00 0.810D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=6.20D-09 MaxDP=4.24D-07 DE= 4.93D-11 OVMax= 8.28D-08

 SCF Done:  E(RB3LYP) =  -681.014543660     A.U. after   10 cycles
            NFock= 10  Conv=0.62D-08     -V/T= 2.1265
 KE= 6.045235399259D+02 PE=-3.901684764945D+03 EE= 1.417691967301D+03
 Leave Link  502 at Fri Jul 16 13:18:47 2021, MaxMem=  5637144576 cpu:            4117.3 elap:             515.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.44880432D+02

 Leave Link  801 at Fri Jul 16 13:18:47 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 3.67D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 2.49D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 9.83D-02 7.10D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 1.64D-02 1.71D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 2.08D-03 8.48D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 4.72D-04 6.38D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.82D-04 3.81D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 3.28D-05 1.08D-03.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 1.46D-06 3.50D-04.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 5.10D-08 4.34D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 3.05D-09 9.27D-06.
      4 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 1.02D-10 1.64D-06.
      1 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 3.44D-12 5.11D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 5.06D-14 5.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   127 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.157108D+03
      2 -0.357426D-02  0.157054D+03
      3 -0.101440D-03  0.399099D-02  0.121140D+03
 Isotropic polarizability for W=    0.085645      145.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.341071D+02 -0.842272D+02 -0.841201D-02
      2  -0.341391D+02  0.842446D+02  0.104897D-01
      3   0.319712D-01 -0.173910D-01 -0.207774D-02
      4  -0.842008D+02 -0.341609D+02  0.302059D-02
      5  -0.108589D-01  0.550488D+01  0.161039D-01
      6  -0.549230D+01  0.142310D-02 -0.121744D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.296034D+01 -0.289009D-01 -0.166838D-01
      2  -0.347747D-02  0.292145D+01 -0.764083D-02
      3   0.376709D-01  0.872789D-03 -0.491354D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.550186D+01 -0.906665D-02 -0.521656D-02
      2   0.244687D-02  0.549532D+01 -0.158673D-01
      3   0.264353D-01  0.217829D-01 -0.109972D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.379419D+00  0.726713D-02 -0.259442D-02
      2   0.726713D-02  0.397232D+00  0.243146D-02
      3  -0.259442D-02  0.243146D-02  0.191599D+00
 OR G Eigenvalues:     0.1915     0.3769     0.3998  Iso=    -0.3227
 Eigenvectors:
   (1)   0.014283  -0.012323   0.999822
   (2)   0.942242  -0.334471  -0.017582
   (3)   0.334628   0.942326   0.006834
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3227 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      -54.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 4.65D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.49D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 4.77D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.33D-02 1.80D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 1.18D-03 7.26D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.09D-05 4.79D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 5.74D-08 5.06D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 2.16D-10 2.01D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 1.14D-12 1.49D-07.
      6 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 4.47D-15 9.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   246 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.61D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.61D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.85D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157108D+03 -0.357426D-02 -0.101440D-03
      2  -0.357426D-02  0.157054D+03  0.399099D-02
      3  -0.101440D-03  0.399099D-02  0.121140D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.296034D+01 -0.289009D-01 -0.166838D-01
      2  -0.347747D-02  0.292145D+01 -0.764083D-02
      3   0.376709D-01  0.872789D-03 -0.491354D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.341071D+02 -0.842272D+02 -0.841201D-02
      2  -0.341391D+02  0.842446D+02  0.104897D-01
      3   0.319712D-01 -0.173910D-01 -0.207774D-02
      4  -0.842008D+02 -0.341609D+02  0.302059D-02
      5  -0.108589D-01  0.550488D+01  0.161039D-01
      6  -0.549230D+01  0.142310D-02 -0.121744D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110515D+01  0.252965D+01 -0.181399D+01  0.962277D+00  0.118165D+01
      2   0.252965D+01  0.280215D+01 -0.367654D+01  0.118165D+01  0.381827D+01
      3  -0.181399D+01 -0.367654D+01 -0.718013D-01 -0.363165D+01 -0.692800D+00
                 6             7             8             9            10 
      1  -0.363165D+01 -0.197328D+01 -0.478986D+01  0.430049D+00  0.512929D+01
      2  -0.692800D+00 -0.478986D+01 -0.139289D+01  0.290861D+01  0.746683D+00
      3   0.187249D+01  0.430049D+00  0.290861D+01 -0.329071D+00  0.263945D+01
                11            12            13            14            15 
      1   0.746683D+00  0.263945D+01  0.270375D+01  0.160185D+01  0.344177D+01
      2   0.531113D+00  0.340720D+01  0.160185D+01 -0.212087D+00 -0.136477D+00
      3   0.340720D+01  0.178825D+01  0.344177D+01 -0.136477D+00 -0.567474D+00
                16            17            18            19            20 
      1   0.387701D+01  0.426463D+01  0.292405D+01 -0.108768D+02 -0.230312D+01
      2   0.426463D+01 -0.520455D+00 -0.355353D+00 -0.230312D+01  0.156036D+00
      3   0.292405D+01 -0.355353D+00  0.328212D+00 -0.455808D+01 -0.240933D+01
                21            22            23            24            25 
      1  -0.455808D+01 -0.501785D+01 -0.911987D+00 -0.303319D+01 -0.305479D+01
      2  -0.240933D+01 -0.911987D+00 -0.158707D+01 -0.794013D-02 -0.139805D+01
      3  -0.191748D+01 -0.303319D+01 -0.794013D-02  0.225691D+00 -0.220463D+01
                26            27            28            29            30 
      1  -0.139805D+01 -0.220463D+01 -0.678687D+00  0.174394D+01  0.147054D-01
      2   0.695697D-01  0.980830D+00  0.174394D+01  0.712935D+00 -0.172177D+01
      3   0.980830D+00  0.812991D+00  0.147054D-01 -0.172177D+01 -0.298619D-03
                31            32            33            34            35 
      1   0.175381D+01  0.712846D+00  0.174519D+01 -0.264105D-01 -0.478509D-02
      2   0.712846D+00 -0.176789D+01 -0.198803D-02 -0.478509D-02 -0.197778D-01
      3   0.174519D+01 -0.198803D-02 -0.442014D-02  0.585911D-04 -0.167927D-02
                36            37            38            39            40 
      1   0.585911D-04 -0.267513D+01 -0.284829D+01  0.170633D+01 -0.112964D+01
      2  -0.167927D-02 -0.284829D+01 -0.650684D+01  0.379652D+01 -0.417334D+01
      3  -0.574272D-02  0.170633D+01  0.379652D+01 -0.280968D+00  0.318341D+01
                41            42            43            44            45 
      1  -0.417334D+01  0.318341D+01  0.889480D+00  0.200771D+01  0.360558D+00
      2  -0.745771D+01  0.283799D+01  0.200771D+01  0.213590D+01 -0.238584D+01
      3   0.283799D+01 -0.190558D+01  0.360558D+00 -0.238584D+01 -0.809816D+00
                46            47            48            49            50 
      1   0.122224D+02  0.687745D+00  0.559164D+01 -0.218056D+01  0.126245D+00
      2   0.687745D+00 -0.202547D+00 -0.949863D+00  0.126245D+00 -0.144841D+01
      3   0.559164D+01 -0.949863D+00  0.179408D+01 -0.155697D+01 -0.104218D+01
                51            52            53            54            55 
      1  -0.155697D+01  0.355136D+01 -0.455331D+00  0.188569D+01 -0.586305D+01
      2  -0.104218D+01 -0.455331D+00 -0.550509D+00  0.150889D+01 -0.292725D+00
      3   0.714166D+00  0.188569D+01  0.150889D+01 -0.808252D+00 -0.414392D+01
                56            57            58            59            60 
      1  -0.292725D+00 -0.414392D+01  0.188907D+01 -0.785598D+00  0.232302D+01
      2  -0.246039D+00  0.228501D+01 -0.785598D+00 -0.902646D+00  0.164108D+01
      3   0.228501D+01 -0.158444D+01  0.232302D+01  0.164108D+01 -0.998222D+00
                61            62            63            64            65 
      1  -0.568758D+01  0.263559D+01 -0.273670D+01 -0.282715D+01  0.297064D+01
      2   0.263559D+01  0.233264D+01 -0.107995D+01  0.297064D+01 -0.217318D+01
      3  -0.273670D+01 -0.107995D+01 -0.332258D+00  0.352973D+01 -0.292918D+01
                66            67            68            69            70 
      1   0.352973D+01  0.105448D+01 -0.100877D+01 -0.289012D+01  0.427553D+01
      2  -0.292918D+01 -0.100877D+01  0.259355D+01 -0.102987D+01 -0.403130D+01
      3  -0.406852D+00 -0.289012D+01 -0.102987D+01  0.182673D+01 -0.116116D+01
                71            72            73            74            75 
      1  -0.403130D+01 -0.116116D+01  0.509223D+01 -0.464401D+01 -0.350389D+01
      2  -0.925757D+00  0.270461D+01 -0.464401D+01  0.596441D+01  0.363709D+01
      3   0.270461D+01  0.330814D+00 -0.350389D+01  0.363709D+01  0.758209D+00
                76            77            78            79            80 
      1  -0.237765D+01  0.415897D+01  0.301960D+01 -0.192565D+01  0.205244D+01
      2   0.415897D+01 -0.359974D+01 -0.105350D+01  0.205244D+01 -0.106668D+01
      3   0.301960D+01 -0.105350D+01 -0.177002D+01  0.256839D+00 -0.239722D+01
                81            82            83            84            85 
      1   0.256839D+00 -0.113753D+01  0.919010D+00  0.120444D+01  0.135301D+01
      2  -0.239722D+01  0.919010D+00  0.778594D+00 -0.296567D+00  0.365206D+01
      3   0.810862D+00  0.120444D+01 -0.296567D+00  0.115492D+01 -0.918470D+00
                86            87            88            89            90 
      1   0.365206D+01 -0.918470D+00  0.483804D+00 -0.649735D+00  0.195036D+01
      2   0.112049D+02 -0.576019D+01 -0.649735D+00 -0.349315D+01  0.141625D+01
      3  -0.576019D+01  0.153968D+01  0.195036D+01  0.141625D+01  0.813654D+00
                91            92            93            94            95 
      1  -0.126448D+01 -0.410498D+00 -0.240680D+01 -0.461126D+00 -0.163748D+01
      2  -0.410498D+00  0.606342D+00 -0.536874D+00 -0.163748D+01 -0.568965D+01
      3  -0.240680D+01 -0.536874D+00 -0.138560D+01 -0.497118D+00  0.490978D+01
                96            97            98            99           100 
      1  -0.497118D+00 -0.311202D+01 -0.235032D+00 -0.176940D+01  0.170426D+01
      2   0.490978D+01 -0.235032D+00  0.646925D+01 -0.235420D+01 -0.585726D+00
      3  -0.126930D+01 -0.176940D+01 -0.235420D+01  0.322955D+00  0.218624D+01
               101           102           103           104           105 
      1  -0.585726D+00  0.218624D+01 -0.120580D+01  0.264959D+01  0.136865D+01
      2   0.488932D+00  0.133167D+01  0.264959D+01 -0.457363D+01 -0.469209D+01
      3   0.133167D+01  0.166235D+01  0.136865D+01 -0.469209D+01 -0.867999D+00
               106           107           108           109           110 
      1   0.260972D+01  0.215157D+01  0.231050D+01 -0.425131D+00  0.265366D+01
      2   0.215157D+01 -0.596074D+01 -0.182217D+01  0.265366D+01 -0.242424D+01
      3   0.231050D+01 -0.182217D+01 -0.321954D+00 -0.459977D+00 -0.193416D+01
               111           112           113           114           115 
      1  -0.459977D+00  0.380127D+01 -0.509709D+01 -0.255075D+01  0.724672D-01
      2  -0.193416D+01 -0.509709D+01  0.843764D+01  0.501845D+01 -0.154738D+01
      3  -0.151475D+01 -0.255075D+01  0.501845D+01  0.119614D+01 -0.225225D+01
               116           117           118           119           120 
      1  -0.154738D+01 -0.225225D+01 -0.490361D+00 -0.956356D+00  0.286213D+00
      2   0.290761D+01  0.877472D+00 -0.956356D+00 -0.386861D+00  0.416267D+00
      3   0.877472D+00 -0.816725D+00  0.286213D+00  0.416267D+00 -0.266894D+00
               121           122           123           124           125 
      1  -0.147824D+01  0.559219D+00  0.108944D+00  0.735765D+00  0.263622D+00
      2   0.559219D+00 -0.508663D+01  0.162848D+01  0.263622D+00  0.274917D+01
      3   0.108944D+00  0.162848D+01 -0.147703D+01  0.259777D+00 -0.198442D+01
               126           127           128           129           130 
      1   0.259777D+00  0.692938D+01 -0.334160D+01 -0.241075D+01 -0.267292D+01
      2  -0.198442D+01 -0.334160D+01  0.278141D+01  0.142333D+01  0.276437D+01
      3   0.211314D+01 -0.241075D+01  0.142333D+01  0.173035D+01  0.133536D+01
               131           132           133           134           135 
      1   0.276437D+01  0.133536D+01 -0.395230D+01  0.280625D+01  0.275907D+01
      2  -0.346638D+01 -0.118942D+01  0.280625D+01 -0.206469D+01 -0.218380D+01
      3  -0.118942D+01 -0.118586D+01  0.275907D+01 -0.218380D+01 -0.267503D+01
               136           137           138           139           140 
      1   0.309575D+01  0.131097D+01 -0.700107D+00  0.234379D+01  0.123509D+01
      2   0.131097D+01  0.941315D+00 -0.519811D+00  0.123509D+01  0.289529D+01
      3  -0.700107D+00 -0.519811D+00  0.861099D+00 -0.823720D+00 -0.121365D+01
               141           142           143           144           145 
      1  -0.823720D+00 -0.148067D+01 -0.100764D+01  0.159063D+01  0.990576D+01
      2  -0.121365D+01 -0.100764D+01 -0.199413D+01  0.121190D+01 -0.121572D+01
      3   0.122756D+01  0.159063D+01  0.121190D+01 -0.211041D+01  0.317563D+01
               146           147           148           149           150 
      1  -0.121572D+01  0.317563D+01 -0.170097D+01  0.175529D+01 -0.666861D+00
      2   0.129334D+01 -0.578401D+00  0.175529D+01 -0.875518D+00  0.425483D+00
      3  -0.578401D+00  0.206079D+01 -0.666861D+00  0.425483D+00 -0.393483D+00
               151           152           153           154           155 
      1   0.580529D+01 -0.967223D+00  0.349317D+01  0.381407D+01  0.133138D+01
      2  -0.967223D+00  0.209918D+00 -0.421293D+00  0.133138D+01  0.229556D+01
      3   0.349317D+01 -0.421293D+00  0.267551D+01  0.152085D+01  0.603149D+00
               156           157           158           159           160 
      1   0.152085D+01  0.777610D+00  0.137387D+01  0.296721D+00  0.247333D+01
      2   0.603149D+00  0.137387D+01  0.174530D+01  0.398489D+00  0.738555D+00
      3   0.141227D+01  0.296721D+00  0.398489D+00  0.509497D+00  0.159035D+01
               161           162           163           164           165 
      1   0.738555D+00  0.159035D+01  0.296853D+00  0.155798D+01 -0.300751D+00
      2   0.101401D+01  0.121698D+01  0.155798D+01  0.174168D+00 -0.120022D+00
      3   0.121698D+01  0.211898D+01 -0.300751D+00 -0.120022D+00  0.164935D+00
               166           167           168           169           170 
      1   0.123882D+01  0.760533D+00 -0.206761D+00 -0.107447D+00 -0.588903D+00
      2   0.760533D+00  0.102394D+02 -0.329910D+01 -0.588903D+00 -0.590663D+01
      3  -0.206761D+00 -0.329910D+01  0.209135D+01  0.515466D+00  0.347852D+01
               171           172           173           174           175 
      1   0.515466D+00 -0.460882D+01  0.112174D+01 -0.166793D+01  0.347218D+00
      2   0.347852D+01  0.112174D+01 -0.194050D+01  0.265836D+00 -0.118469D+01
      3  -0.267241D+01 -0.166793D+01  0.265836D+00 -0.149465D+01 -0.371662D-01
               176           177           178           179           180 
      1  -0.118469D+01 -0.371662D-01 -0.274182D+01  0.283709D+00 -0.184680D+01
      2   0.511629D+00 -0.250514D+00  0.283709D+00 -0.750708D+00  0.770644D+00
      3  -0.250514D+00  0.130801D+00 -0.184680D+01  0.770644D+00 -0.211936D+01
               181           182           183           184           185 
      1  -0.157853D+01  0.201454D+01  0.574357D+00  0.185465D+01 -0.244528D+01
      2   0.201454D+01 -0.179883D+01 -0.837039D+00 -0.244528D+01  0.913182D+01
      3   0.574357D+00 -0.837039D+00 -0.691656D+00 -0.922550D+00  0.302411D+01
               186           187           188           189           190 
      1  -0.922550D+00  0.771223D+00 -0.193884D+01 -0.138240D+01 -0.423960D+01
      2   0.302411D+01 -0.193884D+01  0.524089D+01  0.323114D+01  0.893551D+00
      3   0.197859D+01 -0.138240D+01  0.323114D+01  0.267007D+01  0.106510D+01
               191           192           193           194           195 
      1   0.893551D+00  0.106510D+01  0.197666D+01 -0.101077D+01 -0.863095D+00
      2  -0.991776D+00 -0.558214D+00 -0.101077D+01  0.207267D+01  0.853142D+00
      3  -0.558214D+00 -0.114441D+01 -0.863095D+00  0.853142D+00  0.970070D+00
               196           197           198           199           200 
      1   0.202022D+01 -0.999432D+00 -0.184622D+01 -0.826811D+01 -0.262845D+01
      2  -0.999432D+00  0.147600D+01  0.770404D+00 -0.262845D+01 -0.190957D+01
      3  -0.184622D+01  0.770404D+00  0.211809D+01 -0.269246D+01 -0.117298D+01
               201           202           203           204           205 
      1  -0.269246D+01 -0.297340D+01 -0.247714D+01 -0.125865D+01 -0.497019D+01
      2  -0.117298D+01 -0.247714D+01 -0.234877D+01 -0.907252D+00 -0.221645D+01
      3  -0.189361D+01 -0.125865D+01 -0.907252D+00 -0.901928D+00 -0.327086D+01
               206           207           208           209           210 
      1  -0.221645D+01 -0.327086D+01  0.128380D+01 -0.876946D+00 -0.502890D+00
      2  -0.104602D+01 -0.129264D+01 -0.876946D+00  0.122603D+01  0.708867D+00
      3  -0.129264D+01 -0.267372D+01 -0.502890D+00  0.708867D+00  0.631286D+00
               211           212           213           214           215 
      1  -0.113651D+01  0.184847D+00  0.403724D+00 -0.991555D+00  0.721556D+00
      2   0.184847D+00 -0.497202D+01 -0.141321D+01  0.721556D+00 -0.248663D+01
      3   0.403724D+00 -0.141321D+01 -0.136053D+01  0.251077D+00 -0.198530D+01
               216           217           218           219           220 
      1   0.251077D+00 -0.450939D+01 -0.323897D+01  0.165471D+01 -0.259430D+01
      2  -0.198530D+01 -0.323897D+01 -0.332711D+01  0.154582D+01 -0.313820D+01
      3  -0.211341D+01  0.165471D+01  0.154582D+01 -0.137276D+01  0.145733D+01
               221           222           223           224           225 
      1  -0.313820D+01  0.145733D+01  0.245189D+01  0.290727D+01 -0.211244D+01
      2  -0.580784D+01  0.194614D+01  0.290727D+01  0.356503D+01 -0.281330D+01
      3   0.194614D+01 -0.158716D+01 -0.211244D+01 -0.281330D+01  0.267476D+01
               226           227           228           229           230 
      1   0.237580D+01 -0.313985D+00  0.311178D+00 -0.177543D+01  0.121794D+01
      2  -0.313985D+00  0.315240D+01 -0.210086D+01  0.121794D+01 -0.396812D+01
      3   0.311178D+00 -0.210086D+01  0.159800D+01 -0.974455D+00  0.153550D+01
               231           232           233           234           235 
      1  -0.974455D+00  0.410383D+00 -0.113024D+01  0.712686D+00 -0.135535D+01
      2   0.153550D+01 -0.113024D+01  0.774740D+00 -0.954327D+00 -0.295376D+00
      3  -0.137982D+01  0.712686D+00 -0.954327D+00  0.184531D+01  0.113720D+01
               236           237           238           239           240 
      1  -0.295376D+00  0.113720D+01  0.529266D+00  0.120719D+01 -0.877961D+00
      2  -0.285646D+00 -0.142168D+00  0.120719D+01  0.198436D+01 -0.242074D+00
      3  -0.142168D+00 -0.160132D+01 -0.877961D+00 -0.242074D+00  0.146534D+01
               241           242           243           244           245 
      1   0.134030D+01  0.298260D+00 -0.141240D+01 -0.229931D+01  0.142370D+01
      2   0.298260D+00  0.132775D+01 -0.387060D+00  0.142370D+01 -0.178060D+01
      3  -0.141240D+01 -0.387060D+00  0.591070D+01 -0.661357D+00  0.107098D+01
               246           247           248           249           250 
      1  -0.661357D+00  0.367589D+01 -0.873409D+00  0.220129D+01 -0.172528D+00
      2   0.107098D+01 -0.873409D+00  0.317746D+01 -0.117949D+01  0.106730D+01
      3  -0.906861D+00  0.220129D+01 -0.117949D+01  0.190788D+01 -0.730453D+00
               251           252           253           254           255 
      1   0.106730D+01 -0.730453D+00  0.227706D+01  0.510210D+00  0.410807D+00
      2  -0.101591D+01  0.940269D+00  0.510210D+00 -0.285875D+00  0.453942D+00
      3   0.940269D+00 -0.184664D+01  0.410807D+00  0.453942D+00  0.990637D+00
               256           257           258           259           260 
      1  -0.115932D+01 -0.685224D+00 -0.279730D+00 -0.147672D+01 -0.258450D+00
      2  -0.685224D+00 -0.109956D+01 -0.130133D+01 -0.258450D+00 -0.118449D+01
      3  -0.279730D+00 -0.130133D+01 -0.193434D+01 -0.749483D+00 -0.126428D+01
               261           262           263           264           265 
      1  -0.749483D+00 -0.549150D+01  0.378408D+00  0.255792D+01 -0.562921D+00
      2  -0.126428D+01  0.378408D+00 -0.224734D+01 -0.323471D+00 -0.160404D-01
      3  -0.591562D+01  0.255792D+01 -0.323471D+00 -0.199079D+01  0.803574D+00
               266           267           268           269           270 
      1  -0.160404D-01  0.803574D+00  0.166250D+01  0.409654D+00 -0.118091D+01
      2  -0.135729D+01 -0.716197D+00  0.409654D+00 -0.477070D+00 -0.142088D+00
      3  -0.716197D+00 -0.694656D+00 -0.118091D+01 -0.142088D+00  0.184344D+01
               271           272           273           274           275 
      1   0.646782D+00 -0.912644D+00  0.542372D+00 -0.308650D-01  0.889576D+00
      2  -0.912644D+00  0.235269D+01  0.121952D+01  0.889576D+00  0.196101D+00
      3   0.542372D+00  0.121952D+01  0.206818D+01  0.483954D+00  0.352008D+00
               276           277           278           279           280 
      1   0.483954D+00  0.107285D+01 -0.146694D+00  0.367681D+00  0.509206D+01
      2   0.352008D+00 -0.146694D+00  0.159911D+01  0.142261D+01  0.103637D+01
      3   0.657020D+00  0.367681D+00  0.142261D+01  0.591883D+01 -0.246475D+01
               281           282           283           284           285 
      1   0.103637D+01 -0.246475D+01  0.698747D+00  0.486789D+00 -0.316597D-01
      2   0.288658D+01 -0.115758D+01  0.486789D+00 -0.578525D+00  0.620882D+00
      3  -0.115758D+01  0.210282D+01 -0.316597D-01  0.620882D+00 -0.164217D+00
               286           287           288           289           290 
      1  -0.173037D+01 -0.169211D+00  0.117905D+01 -0.396305D+00 -0.152701D+00
      2  -0.169211D+00  0.540629D+00  0.163609D+00 -0.152701D+00 -0.253048D+01
      3   0.117905D+01  0.163609D+00 -0.184400D+01 -0.946896D+00  0.106287D+01
               291           292           293           294           295 
      1  -0.946896D+00  0.339015D+00 -0.899413D+00  0.329776D+00 -0.103106D+01
      2   0.106287D+01 -0.899413D+00 -0.928313D+00  0.581735D-01  0.251233D-02
      3  -0.216273D+01  0.329776D+00  0.581735D-01  0.111040D+00 -0.716617D+00
               296           297           298           299           300 
      1   0.251233D-02 -0.716617D+00  0.700116D+00  0.110012D+01 -0.104268D+00
      2  -0.162789D+01  0.128001D+01  0.110012D+01  0.149706D+01  0.733975D+00
      3   0.128001D+01 -0.591440D+01 -0.104268D+00  0.733975D+00  0.393796D+00
               301           302           303           304           305 
      1   0.350491D+01  0.120165D+01  0.186053D+01 -0.294894D+00  0.721945D+00
      2   0.120165D+01  0.416548D+01  0.195033D+01  0.721945D+00  0.148362D+01
      3   0.186053D+01  0.195033D+01  0.207868D+01  0.469694D+00  0.109736D+01
               306           307           308           309           310 
      1   0.469694D+00 -0.189581D+01 -0.329647D+00 -0.339564D+00 -0.203841D+01
      2   0.109736D+01 -0.329647D+00  0.550832D+00  0.259154D-01  0.516337D+00
      3   0.185001D+01 -0.339564D+00  0.259154D-01 -0.463081D+00 -0.712203D+00
               311           312           313           314           315 
      1   0.516337D+00 -0.712203D+00  0.159404D+01 -0.155822D+00  0.104492D+01
      2  -0.651682D+00  0.123812D+01 -0.155822D+00  0.108155D+01 -0.103340D+01
      3   0.123812D+01 -0.212471D+01  0.104492D+01 -0.103340D+01  0.591391D+01
               316           317           318           319           320 
      1  -0.186498D+01  0.504560D-01  0.366337D+00 -0.185181D+01 -0.528100D+00
      2   0.504560D-01 -0.203009D+01 -0.160450D+01 -0.528100D+00 -0.510303D+01
      3   0.366337D+00 -0.160450D+01 -0.119893D+01 -0.475918D+00 -0.221332D+01
               321           322           323           324           325 
      1  -0.475918D+00  0.119515D+00 -0.898925D+00 -0.448418D+00  0.107520D+01
      2  -0.221332D+01 -0.898925D+00 -0.131115D+01 -0.110622D+01  0.366016D+00
      3  -0.174299D+01 -0.448418D+00 -0.110622D+01 -0.185047D+01 -0.796847D+00
               326           327           328           329           330 
      1   0.366016D+00 -0.796847D+00  0.154348D+01 -0.136339D+01 -0.115384D+01
      2  -0.124366D+00 -0.418630D+00 -0.136339D+01  0.130870D+01 -0.955518D-01
      3  -0.418630D+00  0.117791D+01 -0.115384D+01 -0.955518D-01  0.182698D+01
               331           332           333 
      1  -0.148740D+01  0.256724D+00  0.146945D+01
      2   0.256724D+00 -0.118210D+01 -0.155820D-01
      3   0.146945D+01 -0.155820D-01 -0.591297D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.420917D+01 -0.484063D+01 -0.475844D+01 -0.675596D+01  0.354507D+01
      2   0.514837D+01  0.385287D+01  0.703692D+01  0.459880D+01 -0.491681D+01
      3   0.332757D+01 -0.810817D+01  0.220240D+01 -0.172279D+01  0.323464D+01
                 6             7             8             9            10 
      1   0.205260D+01 -0.505334D+01  0.383863D+01  0.112998D+01 -0.195964D+01
      2  -0.194278D+01  0.268847D+01 -0.779856D+00 -0.881080D+00  0.584001D+00
      3   0.940798D+01 -0.562787D+00  0.131982D+02  0.597686D+01 -0.712084D+00
                11            12            13            14            15 
      1   0.425156D+01 -0.177126D+00  0.404335D+01  0.200037D+01 -0.565972D+01
      2  -0.937835D+01 -0.699451D+00 -0.735346D+01 -0.128532D+01  0.688372D+01
      3   0.103313D+01  0.964670D+01  0.736416D+01 -0.586290D+01 -0.377559D+00
                16            17            18            19            20 
      1  -0.612426D+00 -0.115791D+01 -0.580601D+00  0.544570D+01 -0.940973D+01
      2  -0.222559D+01  0.647799D+01  0.137046D+01  0.162659D+02  0.481127D+01
      3   0.125888D+02 -0.405486D+01 -0.600036D+01 -0.132498D+02  0.715231D+01
                21            22            23            24            25 
      1   0.661225D+01 -0.155870D+02 -0.236995D+00 -0.922898D+01  0.448393D+01
      2  -0.288155D+00 -0.279248D+01  0.611703D+00 -0.863626D+01 -0.245749D+02
      3  -0.942087D+01  0.267125D+02  0.418283D+01  0.102372D+02 -0.302063D+01
                26            27            28            29            30 
      1  -0.318594D-01  0.424418D+00  0.130351D+00 -0.536804D+00 -0.579740D-01
      2  -0.977596D+01 -0.183128D+02 -0.271872D+00 -0.394081D+00  0.124284D+01
      3   0.648456D+01  0.251044D+01 -0.100722D+00  0.837116D-01  0.179216D+00
                31            32            33            34            35 
      1  -0.384237D+00 -0.296443D+00 -0.116504D+01  0.878925D-01 -0.388805D+01
      2  -0.166165D+00  0.379409D+00 -0.161033D+00  0.420008D+01 -0.299740D+00
      3  -0.210661D+00  0.180417D+00  0.398314D-03  0.977656D-01 -0.446806D-01
                36            37            38            39            40 
      1  -0.285280D+00  0.515827D+00 -0.224032D+01  0.100279D+02  0.668995D+01
      2   0.113970D+00 -0.665197D+01 -0.121873D+02  0.461358D+01 -0.823624D+01
      3   0.116740D+00 -0.116877D+02 -0.199037D+02  0.734187D+01 -0.315371D+00
                41            42            43            44            45 
      1   0.171221D+02 -0.428107D+01  0.151004D+02  0.191818D+02 -0.174910D+02
      2   0.714779D+01 -0.791432D+01 -0.538263D+01 -0.975884D+01  0.511580D+01
      3   0.206646D+02 -0.117757D+02  0.535426D+01 -0.457260D+01 -0.253011D+01
                46            47            48            49            50 
      1  -0.293812D+01 -0.865246D+01 -0.325877D+01 -0.166581D+02 -0.621203D+01
      2   0.154136D+02 -0.313971D+01 -0.345963D+01  0.252937D+01 -0.494713D+00
      3   0.375576D+01  0.929659D+01  0.648206D+01  0.289019D+02  0.511085D+01
                51            52            53            54            55 
      1  -0.123639D+02  0.242824D+01 -0.196107D+01  0.433096D+01  0.625142D+00
      2   0.541758D+01 -0.266122D+02  0.300143D+01 -0.178370D+02 -0.358456D+01
      3   0.123227D+02  0.133811D+01  0.706786D+01 -0.257898D+01 -0.101994D+01
                56            57            58            59            60 
      1   0.231546D+01  0.129755D+01  0.262602D+01 -0.461955D+00 -0.352425D+01
      2   0.965495D+01  0.146546D+01  0.760145D+01  0.294636D+01 -0.798969D+01
      3  -0.760875D+00 -0.924943D+01  0.561228D+01  0.758777D+01 -0.283124D+01
                61            62            63            64            65 
      1   0.988493D+00  0.806723D+00  0.207607D+00  0.466221D+01 -0.191140D+01
      2  -0.306268D+00 -0.680379D+01  0.144461D+01  0.798541D+01 -0.138712D+01
      3  -0.111343D+02 -0.713177D+01  0.596074D+01 -0.892480D+00 -0.751630D+01
                66            67            68            69            70 
      1   0.235245D+01 -0.355598D+01 -0.409984D+01  0.215584D+01  0.322579D+01
      2   0.712411D+01 -0.257070D+01 -0.765579D+01  0.433413D+01  0.337358D+01
      3  -0.449542D+01 -0.115048D+01 -0.566830D+01  0.855825D+01 -0.281267D+01
                71            72            73            74            75 
      1   0.443011D+01 -0.889939D+00  0.193274D+00 -0.373403D+00 -0.900780D+01
      2   0.260640D+01 -0.118789D+01 -0.111242D+02  0.771694D+01  0.218703D+00
      3   0.129509D+02 -0.596735D+01  0.146341D+02 -0.106493D+02 -0.420518D+01
                76            77            78            79            80 
      1   0.921744D+01 -0.173095D+02 -0.869328D+01 -0.169797D+02  0.121985D+02
      2   0.607828D+01  0.716238D+01  0.689811D+01 -0.124160D+02  0.116134D+02
      3   0.894815D+01 -0.235262D+02 -0.132780D+02 -0.407179D+01 -0.592287D+01
                81            82            83            84            85 
      1   0.156998D+02 -0.278656D+01  0.280017D+01 -0.735397D+00 -0.664708D+00
      2   0.953366D+01 -0.122330D+02 -0.152332D+02  0.133991D+02 -0.613644D+01
      3   0.253954D+01 -0.148499D+02 -0.258116D+02  0.135243D+02 -0.629876D+01
                86            87            88            89            90 
      1   0.148265D+02  0.453083D+01  0.441721D+01  0.246172D+02 -0.160270D+02
      2  -0.751452D+00 -0.131418D+01  0.452210D-01 -0.972119D+01  0.879716D+01
      3   0.575046D+01  0.304612D+01  0.707170D+01 -0.597416D+00  0.251789D+01
                91            92            93            94            95 
      1   0.684119D+01  0.528917D+01  0.788638D+01  0.716224D+01 -0.745886D+01
      2  -0.971261D+00  0.120689D+01  0.101857D+01  0.377804D+00  0.129324D+01
      3  -0.820027D+01 -0.306299D+01 -0.513950D+01  0.329286D+01  0.164754D+01
                96            97            98            99           100 
      1  -0.392269D+01  0.616088D+01 -0.162687D+01  0.147930D+01 -0.856251D+01
      2  -0.117344D+01 -0.275820D+01 -0.311913D+00 -0.181122D+00 -0.271189D+01
      3  -0.817746D+01 -0.978591D+01 -0.888870D+01 -0.598899D+01  0.748284D+01
               101           102           103           104           105 
      1   0.136622D+01 -0.656998D+01  0.296754D+01  0.906979D+01 -0.600274D+01
      2  -0.136326D+01 -0.100352D+01 -0.826273D-01  0.316204D+01 -0.136430D+00
      3  -0.663595D+00  0.704320D+01  0.571189D+01 -0.940801D+00 -0.660056D+01
               106           107           108           109           110 
      1  -0.467715D+01 -0.295386D+01 -0.138132D+01  0.537299D+01  0.398781D+01
      2  -0.406042D+01 -0.118636D+01 -0.559318D+00 -0.158854D+02  0.125143D+02
      3   0.117323D+02 -0.607163D+01  0.600540D+01  0.213970D+02 -0.187056D+02
               111           112           113           114           115 
      1  -0.360742D+01  0.292039D+01 -0.136606D+02  0.322537D+01 -0.952878D+01
      2   0.121619D+02  0.273337D+01  0.331461D+00  0.572366D+01 -0.498625D+01
      3  -0.139141D+02  0.853128D+00 -0.123698D+02 -0.505878D+00 -0.676802D+01
               116           117           118           119           120 
      1   0.195468D+02  0.133021D+02  0.963985D+00  0.123355D+01 -0.148174D+01
      2   0.148935D+02  0.126410D+02  0.998532D+00  0.132928D+01 -0.614325D+00
      3  -0.242603D+01 -0.254538D+01  0.623410D+01  0.330045D+01 -0.233330D+01
               121           122           123           124           125 
      1   0.455514D+00  0.483907D+01 -0.507508D+01  0.133429D+00 -0.384768D+01
      2   0.658215D+00  0.539705D+01 -0.383540D+01 -0.174543D+01 -0.514851D+01
      3   0.381656D+01  0.131411D+02 -0.539257D+01 -0.377584D+01 -0.895169D+01
               126           127           128           129           130 
      1   0.621086D+01 -0.239203D+01  0.126460D+01  0.328199D+01  0.745945D+00
      2   0.689965D+01 -0.170244D+01  0.208896D+01  0.488003D+01  0.110081D+01
      3   0.505860D+01 -0.550942D+01 -0.203253D+01  0.704426D+00 -0.843106D+00
               131           132           133           134           135 
      1  -0.234143D+00 -0.263424D+01  0.189895D+01 -0.446927D+00 -0.406187D+01
      2  -0.114699D+01 -0.334179D+01  0.216030D+00 -0.173661D+01 -0.578997D+01
      3   0.431750D+01  0.904906D+00  0.399656D+01 -0.859789D+00  0.163636D+00
               136           137           138           139           140 
      1  -0.120772D+00 -0.238121D+00 -0.174618D+00 -0.167216D+00 -0.329493D+00
      2  -0.302565D+01 -0.241991D+01  0.344043D+01 -0.344120D+01 -0.558082D+01
      3  -0.616660D+01 -0.375067D+01  0.218334D+01 -0.322196D+01 -0.132088D+02
               141           142           143           144           145 
      1  -0.102735D+01 -0.272515D+00  0.161080D+01 -0.534654D+00  0.516449D+00
      2   0.548554D+01  0.373605D+01  0.527487D+01 -0.924603D+01  0.375718D+01
      3   0.545155D+01  0.368952D+01  0.897796D+01 -0.505379D+01 -0.879638D+00
               146           147           148           149           150 
      1   0.728708D+00  0.118099D+01  0.392396D+00 -0.342660D+00 -0.453229D+00
      2  -0.443892D+00  0.705975D+01 -0.150257D+01  0.103363D+00 -0.111805D+01
      3  -0.549875D+01 -0.146394D+00 -0.430745D+01  0.207773D+01 -0.113720D+01
               151           152           153           154           155 
      1  -0.178222D+00  0.148877D+01  0.125347D+01 -0.676758D+01 -0.232725D+01
      2   0.215145D+01  0.223672D-01  0.696239D+01  0.140418D+01  0.547844D+00
      3   0.341062D+01 -0.223074D+01 -0.169895D+00  0.144561D+02  0.937441D+00
               156           157           158           159           160 
      1  -0.570976D+01 -0.135701D+01 -0.167898D+01 -0.184927D+01 -0.625381D+01
      2   0.262990D+01  0.207076D+00  0.421150D+00  0.399490D+00  0.166879D+00
      3   0.583956D+01  0.149063D+01  0.487388D+01  0.669243D+00  0.964007D+01
               161           162           163           164           165 
      1  -0.194991D+01 -0.909265D+01 -0.127639D+00 -0.290832D+00 -0.724105D+00
      2   0.124008D+01  0.192901D+01  0.381514D-01  0.626393D+00  0.329185D+00
      3   0.118897D+01  0.506150D+01  0.623260D+00  0.437360D+01 -0.113786D+01
               166           167           168           169           170 
      1   0.828310D+00  0.391704D+01 -0.718925D+01 -0.938143D+00 -0.185974D+01
      2   0.673829D+00 -0.889336D+00  0.655936D+00 -0.118343D+01  0.109303D+01
      3   0.557009D+01 -0.181357D+01  0.156330D+00 -0.125441D+01  0.388912D+01
               171           172           173           174           175 
      1   0.704039D+01  0.671669D+01 -0.728013D+00  0.512087D+01  0.124232D+00
      2  -0.626222D+00  0.334564D+01 -0.452441D+00  0.407794D+01  0.110575D+00
      3   0.171422D+00 -0.144357D+02 -0.159545D+01 -0.582575D+01 -0.106803D+01
               176           177           178           179           180 
      1   0.101631D+01 -0.368446D+00  0.622486D+01  0.249723D-01  0.830900D+01
      2   0.576158D+00  0.207457D+00  0.212412D+01 -0.119957D+01  0.417668D+01
      3  -0.494862D+01 -0.854758D+00 -0.964489D+01 -0.132821D+01 -0.507363D+01
               181           182           183           184           185 
      1  -0.327149D+00  0.724385D+00  0.232130D+01  0.181913D+01 -0.311231D+01
      2   0.223730D+00 -0.135779D+00  0.111179D+01  0.103380D+00 -0.200341D+01
      3  -0.291008D+01  0.312956D+01  0.105714D+01  0.433066D+01  0.409436D+01
               186           187           188           189           190 
      1  -0.640200D+01  0.155141D+01 -0.115502D+01 -0.664314D+01  0.140573D+01
      2  -0.225263D+01 -0.489559D+00 -0.170460D+01 -0.239169D+01 -0.443733D+01
      3   0.438748D+00  0.221581D+00  0.407342D+01 -0.174109D+00  0.831060D+01
               191           192           193           194           195 
      1  -0.932790D+00 -0.782004D+00 -0.112122D+01  0.122988D+01  0.207820D+00
      2   0.252144D+01  0.466683D+01  0.350567D+01 -0.381431D+01 -0.454258D+01
      3  -0.502522D+01 -0.350299D+01 -0.447211D+01  0.110601D+02  0.473537D+01
               196           197           198           199           200 
      1  -0.139542D+01  0.264745D+01  0.286977D+01 -0.148880D+01  0.119138D+00
      2   0.472749D+01 -0.363207D+01 -0.885502D+01  0.276591D+01  0.129329D+01
      3  -0.584195D+01  0.779150D+01  0.507044D+01  0.310386D+01 -0.414012D+01
               201           202           203           204           205 
      1  -0.265499D+01 -0.482188D+00  0.330216D+00 -0.144626D+01 -0.723852D+00
      2   0.607030D+01  0.224143D+01  0.940365D+00  0.259181D+01  0.196192D+01
      3   0.432029D+00 -0.293873D+01 -0.428207D+01 -0.105897D+01 -0.274242D+01
               206           207           208           209           210 
      1   0.130437D+01 -0.297431D+01 -0.203445D+01  0.258789D+01  0.301526D+01
      2   0.883871D+00  0.640825D+01  0.129317D+01 -0.167539D+01 -0.817126D+00
      3  -0.302578D+01  0.167122D+00 -0.839906D+01  0.450959D+01  0.363132D+01
               211           212           213           214           215 
      1   0.165112D+01 -0.520840D+01 -0.528185D+01  0.155634D+01 -0.481622D+01
      2  -0.121191D+01  0.341642D+01  0.229135D+01 -0.266687D+01  0.344282D+01
      3   0.502892D+01 -0.109533D+02 -0.461179D+01  0.592304D+01 -0.769054D+01
               216           217           218           219           220 
      1  -0.773790D+01  0.192820D+01  0.212595D+01 -0.341012D+01  0.137184D+01
      2   0.509444D+01 -0.407312D+00 -0.152991D+01  0.311022D+01 -0.706382D+00
      3  -0.505359D+01  0.558981D+01  0.568049D+00 -0.914038D+00  0.175697D+01
               221           222           223           224           225 
      1   0.134067D+01 -0.441040D+01 -0.161367D+01 -0.133841D+01  0.540498D+01
      2  -0.168439D+01  0.346977D+01 -0.657673D+00  0.145887D+01 -0.457267D+01
      3  -0.438927D+01  0.699605D+00 -0.364665D+01 -0.183975D+01 -0.171094D+00
               226           227           228           229           230 
      1   0.609166D+00  0.434905D+01  0.626233D-01  0.887345D+00 -0.189797D+01
      2  -0.649503D+01  0.461526D+01 -0.244221D+01  0.402590D+01 -0.385168D+01
      3  -0.811257D+01  0.628835D+01 -0.401646D+01  0.593214D+01 -0.567009D+01
               231           232           233           234           235 
      1  -0.112495D+01  0.939608D+00 -0.799217D+00  0.158527D+01  0.216062D+01
      2   0.284641D+01 -0.248288D+01  0.184312D+01 -0.262813D+01  0.859579D+00
      3   0.305859D+01 -0.120263D+01  0.198383D+01 -0.299979D+01  0.190874D+01
               236           237           238           239           240 
      1  -0.125050D+01 -0.361657D+01 -0.194706D+01 -0.671488D+00  0.510936D+01
      2   0.526630D+00  0.343850D+00 -0.160709D+01 -0.170990D+01 -0.532945D-01
      3  -0.936056D+00 -0.227953D+01 -0.199704D+01 -0.258388D+01  0.252035D+01
               241           242           243           244           245 
      1  -0.298282D+01  0.120931D+01  0.120621D+02 -0.188914D+01  0.295592D+01
      2  -0.172902D+01  0.117172D-01 -0.276254D+01  0.126367D+00  0.403773D+00
      3  -0.246647D+01 -0.350858D-01  0.260888D+01  0.272938D+01 -0.443995D+01
               246           247           248           249           250 
      1  -0.173155D+01  0.444895D+01 -0.847989D+01  0.292291D+01 -0.935926D+00
      2   0.159509D+01  0.360904D+01  0.139183D+01 -0.115076D+01  0.788577D+00
      3   0.189250D+01 -0.482182D+01  0.110891D+02 -0.468474D+01  0.158449D+01
               251           252           253           254           255 
      1   0.249709D+01 -0.211790D+01 -0.207760D+01 -0.112468D+01 -0.110899D+01
      2  -0.186055D+01  0.221914D+01 -0.735296D+00 -0.743404D+00 -0.381317D+01
      3  -0.168776D+01  0.300495D+01  0.301845D+01  0.648783D+00  0.182787D+01
               256           257           258           259           260 
      1   0.114437D+01  0.168435D+01  0.945545D+00  0.336095D+00  0.245486D+01
      2  -0.621067D+00  0.240114D+01  0.475018D+01 -0.436533D+00  0.262211D+01
      3  -0.438415D+00 -0.232135D+01 -0.286362D+01 -0.727658D+00 -0.234631D+01
               261           262           263           264           265 
      1   0.530857D+00 -0.539160D+01 -0.335700D+01  0.369294D+01 -0.213530D+01
      2   0.123580D+02  0.721535D+01  0.201425D+00 -0.979839D+00  0.350947D+01
      3  -0.260472D+01 -0.115980D+02 -0.392927D+01  0.465666D+01 -0.430967D+01
               266           267           268           269           270 
      1  -0.298602D+01  0.342543D+00  0.304506D+01  0.128005D+01 -0.305743D+01
      2  -0.884370D+00 -0.789263D+00 -0.405468D+00 -0.226349D+00 -0.431384D-01
      3  -0.227557D+01  0.192867D+01  0.231209D+01  0.259851D-01 -0.302027D+01
               271           272           273           274           275 
      1  -0.124658D+01  0.960464D+00 -0.329440D+01 -0.532206D+00 -0.280283D+00
      2  -0.968155D+00 -0.326943D+01 -0.530171D+01 -0.155015D+01  0.359701D-01
      3  -0.178467D+00  0.320581D+01  0.332979D+01  0.211814D+01 -0.468363D+00
               276           277           278           279           280 
      1  -0.540936D+00 -0.511524D+00  0.301199D+00 -0.842644D+01  0.443338D+01
      2  -0.357293D+00 -0.263902D+01 -0.246311D+01 -0.908438D+01  0.901691D+01
      3   0.708897D+00  0.120776D+01  0.214641D+01  0.261295D+01  0.130115D+02
               281           282           283           284           285 
      1  -0.286410D+01 -0.324565D+01 -0.819618D+00  0.204688D+01 -0.730879D+00
      2   0.133296D+01 -0.201322D+01 -0.152572D+01 -0.787031D+00  0.351816D+00
      3  -0.115481D+01 -0.498370D+01 -0.146808D+01  0.828127D+00  0.684503D+00
               286           287           288           289           290 
      1  -0.304099D+01  0.423731D+00  0.298055D+01  0.152124D+01  0.395721D+00
      2  -0.127956D+01  0.262176D+00  0.706992D+00 -0.166068D+01  0.294803D+01
      3  -0.225538D+01 -0.527113D+00  0.299483D+01 -0.105640D+01  0.281400D+01
               291           292           293           294           295 
      1   0.452157D+01 -0.608804D+00  0.350462D-01  0.566577D+00  0.116576D+01
      2  -0.417930D+01  0.982182D+00  0.126704D+01 -0.869074D+00 -0.292655D+01
      3  -0.337473D+01  0.173747D+01  0.177891D+01 -0.136612D+00 -0.165548D+01
               296           297           298           299           300 
      1  -0.459795D-01  0.104370D+02  0.201329D+00  0.942550D+00  0.606923D+00
      2   0.179123D+01 -0.663614D+01  0.129027D+01 -0.230736D+00  0.144465D+01
      3   0.182254D+01 -0.260145D+01 -0.104478D+01 -0.178099D+01 -0.649871D+00
               301           302           303           304           305 
      1   0.317271D+01  0.948660D+01  0.274619D+01  0.199773D+00  0.204370D+01
      2  -0.294831D+01  0.282448D+01  0.231660D+01  0.333223D+00  0.261958D+01
      3  -0.211080D+01 -0.128417D+02 -0.499604D+01 -0.111079D+01 -0.203622D+01
               306           307           308           309           310 
      1   0.150101D+01  0.196683D+01 -0.161981D+00  0.143783D+01  0.203028D+01
      2   0.268094D+01 -0.397760D+00 -0.132339D+00 -0.220347D+01  0.297738D+00
      3  -0.301996D+01 -0.270010D+01 -0.660079D+00 -0.104939D+01 -0.172632D+01
               311           312           313           314           315 
      1  -0.203521D+01  0.257286D+01 -0.959970D+00  0.290936D+01 -0.363696D+01
      2   0.213861D+01 -0.510555D+01 -0.679960D-01 -0.202078D+01  0.118179D+02
      3   0.208244D+01 -0.324500D+01  0.124277D+01 -0.212619D+01  0.262118D+01
               316           317           318           319           320 
      1  -0.632065D+00  0.449416D+01  0.648410D+00  0.992214D+00  0.449441D+01
      2  -0.457297D+01 -0.366356D+01 -0.152726D+01 -0.398054D+01 -0.519633D+01
      3   0.501929D+01  0.608585D+01  0.309905D+01  0.571429D+01  0.883805D+01
               321           322           323           324           325 
      1  -0.217585D+00 -0.208512D+00 -0.360677D+00 -0.867303D+00 -0.125890D+01
      2  -0.354796D+01 -0.208241D+01 -0.258562D+01 -0.294781D+01  0.106712D+00
      3   0.398387D+01  0.678860D+00  0.221702D+01  0.300348D+01 -0.894754D+00
               326           327           328           329           330 
      1  -0.165241D+01  0.204015D+01 -0.291688D+01  0.507666D-02  0.564040D+01
      2  -0.409136D+00  0.875768D+00  0.148864D+01 -0.129532D+01  0.160820D+01
      3  -0.183503D+01  0.156384D+01 -0.290905D+01  0.158583D+01  0.301454D+01
               331           332           333 
      1   0.291884D+01  0.195782D+01 -0.109525D+02
      2  -0.960342D+00  0.551802D-01 -0.572728D+01
      3   0.239033D+01  0.577440D+00 -0.261314D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.332841D+01 -0.420156D+01  0.156386D+00 -0.100412D+01  0.535800D+01
      2  -0.491996D+01 -0.111315D+01  0.131147D+02  0.268111D+00 -0.125144D+02
      3   0.159155D+01  0.531471D+01 -0.132711D+02  0.736011D+00  0.715640D+01
      4  -0.987165D+01 -0.175832D+02  0.189877D+02 -0.915393D+01 -0.160554D+02
      5   0.765297D+01  0.146156D+02 -0.352419D+01  0.144265D+02  0.657021D+01
      6   0.106212D+02  0.184549D+02 -0.994294D+00  0.174490D+02  0.161212D+01
                 6             7             8             9            10 
      1   0.153162D+02 -0.350309D+01  0.157027D+02  0.748810D+01 -0.225467D+02
      2  -0.900830D+01  0.151429D+02 -0.980752D+01 -0.118432D+02  0.142090D+02
      3  -0.630787D+01 -0.116398D+02 -0.589517D+01  0.435512D+01  0.833778D+01
      4   0.156345D+02  0.213045D+02  0.207129D+02 -0.897386D+01 -0.152479D+02
      5  -0.887619D+01 -0.335913D+01 -0.109010D+02  0.225660D+01 -0.147396D+02
      6  -0.103478D+02 -0.273846D+01 -0.152637D+02  0.146059D+01 -0.105424D+02
                11            12            13            14            15 
      1  -0.922633D+00 -0.645983D+01 -0.667361D+01 -0.629746D+01 -0.209162D+02
      2   0.201506D+01 -0.313495D+01  0.321929D+01  0.586730D+01  0.980471D+01
      3  -0.109243D+01  0.959478D+01  0.345431D+01  0.430161D+00  0.111115D+02
      4  -0.582065D+01 -0.224071D+02 -0.134626D+02 -0.418740D+00 -0.732076D+01
      5  -0.199783D+02 -0.123884D+02 -0.209476D+02 -0.810734D+00  0.144837D+01
      6  -0.765607D+01 -0.644814D+01 -0.755000D+01  0.759873D-01 -0.148515D+01
                16            17            18            19            20 
      1  -0.899505D+01 -0.231468D+02 -0.150676D+02  0.857330D+01  0.353047D+01
      2   0.231308D+00  0.134839D+02  0.107209D+02 -0.518212D+01 -0.720944D+01
      3   0.876374D+01  0.966290D+01  0.434671D+01 -0.339118D+01  0.367897D+01
      4  -0.270319D+02 -0.661819D+01 -0.278260D+01  0.195993D+02  0.578340D+00
      5  -0.179194D+02  0.126626D+01 -0.199248D+01  0.974412D+01  0.119880D+02
      6  -0.691787D+01 -0.718972D+00 -0.178142D+01  0.405891D+01 -0.721809D+00
                21            22            23            24            25 
      1   0.302198D+01  0.633927D+01 -0.211704D+01  0.122573D+02 -0.172123D+01
      2  -0.167063D+01 -0.633548D+01  0.266068D+01 -0.214060D+01  0.180573D-01
      3  -0.135136D+01 -0.379331D-02 -0.543641D+00 -0.101167D+02  0.170317D+01
      4   0.141936D+02  0.552087D+01  0.852770D+01  0.107751D+01  0.670409D+01
      5   0.590117D+01  0.114210D+02 -0.424300D+01  0.175506D+01  0.289196D+01
      6   0.443334D+01 -0.160483D+01  0.142262D+01 -0.299943D+01  0.267903D+01
                26            27            28            29            30 
      1   0.103156D+02  0.755682D+01 -0.124901D+02 -0.311411D-01  0.459002D+01
      2  -0.295667D+01  0.136479D+01  0.209249D+01  0.199568D-01 -0.460076D+01
      3  -0.735897D+01 -0.892162D+01  0.103976D+02  0.111844D-01  0.107395D-01
      4  -0.587425D+00  0.316193D+00 -0.287494D-01 -0.726057D+01  0.183076D+01
      5  -0.484808D+00 -0.435537D+01  0.226730D+01  0.909678D+00 -0.140820D+01
      6  -0.227998D+01 -0.589599D+01  0.908892D+00 -0.231666D+01  0.353645D-01
                31            32            33            34            35 
      1  -0.363972D-01  0.210086D+01  0.182468D+01  0.744501D+01  0.300973D+01
      2   0.696172D-01 -0.124740D+02 -0.182849D+01 -0.744312D+01 -0.301766D+01
      3  -0.332200D-01  0.103731D+02  0.380965D-02 -0.189637D-02  0.792306D-02
      4  -0.731468D+01 -0.380483D-04 -0.460818D+01  0.307121D+01 -0.742018D+01
      5   0.839129D+00 -0.228468D+01 -0.519335D-01  0.496268D+01 -0.300432D-01
      6  -0.228237D+01 -0.926682D+00 -0.141520D+01 -0.478641D-01  0.489616D+01
                36            37            38            39            40 
      1  -0.138977D+00  0.436966D+01 -0.224052D+01 -0.101156D+01 -0.579037D+01
      2  -0.205258D+00 -0.454474D+01  0.324586D+01 -0.910036D+01  0.309089D+01
      3   0.344234D+00  0.175075D+00 -0.100533D+01  0.101119D+02  0.269947D+01
      4  -0.284298D-01  0.992807D+01  0.107461D+02 -0.792293D+01  0.609055D+01
      5   0.236806D-01 -0.169572D+01 -0.274893D+01 -0.837168D+00 -0.379639D+01
      6   0.369128D-01 -0.230188D+01 -0.130001D+02  0.354634D+01 -0.133655D+02
                41            42            43            44            45 
      1   0.811964D+01 -0.585326D+01  0.139430D+01 -0.382913D+01  0.195861D+01
      2  -0.400280D+01  0.724156D+01 -0.802665D+01  0.743162D+01  0.698511D+01
      3  -0.411684D+01 -0.138831D+01  0.663235D+01 -0.360249D+01 -0.894373D+01
      4   0.164799D+02 -0.116764D+02 -0.422776D+01 -0.439382D+01  0.187524D+01
      5  -0.501465D+01  0.626052D+01 -0.138358D+01  0.383795D+01  0.682521D+01
      6  -0.146212D+01  0.366446D+01  0.714411D+00  0.199032D+01  0.262841D+01
                46            47            48            49            50 
      1   0.190314D+02  0.126336D+01  0.123332D+02 -0.379332D+01  0.562330D+00
      2  -0.167480D+02  0.288933D+01 -0.845126D+01  0.423173D+01  0.110049D+01
      3  -0.228337D+01 -0.415269D+01 -0.388191D+01 -0.438408D+00 -0.166282D+01
      4  -0.132566D+02 -0.335779D+01 -0.101907D+02  0.427080D+00 -0.904300D+01
      5   0.148954D+02 -0.651586D+01  0.679095D+01 -0.566945D+01 -0.825030D+01
      6   0.466790D+00 -0.291104D+01 -0.188163D+01 -0.367069D+01 -0.438363D+01
                51            52            53            54            55 
      1  -0.899038D+01  0.394716D+01 -0.846159D+01  0.731830D+01 -0.301861D+02
      2  -0.454371D+00 -0.372693D+01  0.910065D+00  0.160447D+01  0.218003D+02
      3   0.944475D+01 -0.220226D+00  0.755152D+01 -0.892276D+01  0.838589D+01
      4  -0.537819D+01 -0.510627D+01 -0.525680D+01  0.124748D+01  0.715988D+01
      5   0.852366D+00  0.308419D+01  0.189240D+01 -0.570241D+01 -0.265624D+02
      6  -0.399550D+01 -0.124955D+01 -0.250077D+01  0.460598D+01  0.710183D+01
                56            57            58            59            60 
      1  -0.285934D+01 -0.224154D+02  0.624184D+01 -0.319673D+01  0.174421D+02
      2  -0.329981D+00  0.102983D+02 -0.486699D+01  0.281058D+01 -0.911548D+01
      3   0.318932D+01  0.121171D+02 -0.137485D+01  0.386155D+00 -0.832662D+01
      4  -0.181373D+01  0.178031D+02 -0.678015D+01 -0.553219D+01  0.588258D+01
      5   0.145056D+02 -0.129108D+02  0.154378D+02  0.886684D+01 -0.442432D+01
      6  -0.400699D+00  0.344696D+01 -0.517448D-01 -0.911222D+00 -0.950914D+00
                61            62            63            64            65 
      1  -0.270758D+02  0.177655D+02 -0.147603D+02 -0.663049D+01  0.118852D+02
      2   0.161485D+02 -0.106428D+02  0.104167D+02  0.318504D+01 -0.560814D+01
      3   0.109273D+02 -0.712272D+01  0.434365D+01  0.344545D+01 -0.627701D+01
      4   0.197662D+02  0.854684D+01 -0.388133D+01  0.165923D+02 -0.149975D+02
      5  -0.181934D+02 -0.582036D+01 -0.240802D+01  0.189927D+02 -0.156076D+02
      6   0.234352D+01 -0.443405D+00  0.122004D+01 -0.145011D+02  0.102976D+02
                66            67            68            69            70 
      1   0.153986D+02  0.470748D+01  0.869733D+00 -0.181266D+02  0.140176D+02
      2  -0.961176D+00 -0.297486D+01 -0.620668D+01  0.153949D+02 -0.126180D+01
      3  -0.144374D+02 -0.173262D+01  0.533695D+01  0.273171D+01 -0.127558D+02
      4  -0.210191D+02 -0.815545D+01  0.124375D+02  0.239288D+01 -0.253541D+02
      5  -0.639744D+01 -0.151933D+02 -0.215757D+01  0.990560D+01 -0.750799D+01
      6   0.203237D+01  0.938393D+01  0.629171D+01 -0.747305D+01  0.477270D+01
                71            72            73            74            75 
      1  -0.213735D+02  0.182134D+01  0.940357D+01 -0.497346D+01 -0.798602D+01
      2   0.186352D+02 -0.615847D+01 -0.973242D+01  0.283285D+01 -0.145560D+01
      3   0.273826D+01  0.433714D+01  0.328845D+00  0.214060D+01  0.944162D+01
      4   0.550121D+01  0.125524D+02 -0.112606D+02  0.107853D+02  0.104183D+02
      5   0.129373D+02  0.255051D+01 -0.563152D+01  0.590756D+01  0.188213D+01
      6  -0.111387D+02 -0.850475D+00  0.757823D+01 -0.997112D+01 -0.405379D+01
                76            77            78            79            80 
      1   0.634913D+00  0.147037D+02  0.904230D+01 -0.254742D+01  0.475938D+01
      2   0.905674D+00 -0.104321D+02 -0.129403D+02 -0.296892D+01 -0.991739D+01
      3  -0.154059D+01 -0.427151D+01  0.389802D+01  0.551634D+01  0.515802D+01
      4   0.754440D+01 -0.661840D+01 -0.449591D+01  0.603138D+01  0.513948D+00
      5   0.699196D+01 -0.184992D+01 -0.674656D+01 -0.268131D-01 -0.436496D+01
      6  -0.100553D+02 -0.559673D+01  0.963570D+00 -0.121104D+01  0.609017D+00
                81            82            83            84            85 
      1   0.320713D+01 -0.352079D+01 -0.871142D+00  0.685302D+01 -0.374133D+01
      2   0.570769D+01  0.633352D+01  0.117905D+01  0.123310D+01  0.772562D+01
      3  -0.891482D+01 -0.281274D+01 -0.307910D+00 -0.808612D+01 -0.398429D+01
      4  -0.284235D+01 -0.879250D+01  0.104312D+00  0.745458D+01 -0.153211D+01
      5   0.729644D+01  0.812258D+01  0.162367D+01 -0.342982D+01  0.117873D+01
      6  -0.814885D+00  0.786871D+01 -0.149578D+01  0.365946D+01 -0.537799D+00
                86            87            88            89            90 
      1  -0.210501D+02  0.107795D+02  0.383887D+01  0.497133D+01  0.264544D+01
      2   0.221466D+02 -0.169967D+02  0.338173D+01 -0.717114D+01  0.629811D+01
      3  -0.109658D+01  0.621718D+01 -0.722061D+01  0.219981D+01 -0.894356D+01
      4  -0.141365D+01  0.156572D+01  0.728835D+01  0.551222D+00  0.252036D+01
      5  -0.609021D+01  0.978015D+00 -0.193850D+01  0.116702D+00 -0.292772D+01
      6  -0.153116D+02  0.631215D+01  0.326862D+01  0.253775D+01  0.672308D+01
                91            92            93            94            95 
      1  -0.113649D+01 -0.122909D+01 -0.347965D+00  0.488443D+01  0.225719D+02
      2  -0.236386D+00  0.686498D+00 -0.448880D+01 -0.999204D+01 -0.299616D+02
      3   0.137288D+01  0.542597D+00  0.483677D+01  0.510760D+01  0.738970D+01
      4  -0.760479D+01 -0.283871D+01 -0.132232D+02 -0.201932D+01 -0.571119D+01
      5  -0.323304D+01 -0.308693D+01 -0.204517D+01 -0.250828D+01  0.193624D+01
      6  -0.136264D+02 -0.368715D+01 -0.742925D+01 -0.287263D+01  0.323227D+02
                96            97            98            99           100 
      1  -0.175962D+02 -0.191839D+01 -0.235044D+02  0.669635D+01 -0.334765D+01
      2   0.314462D+02 -0.207008D+01  0.359203D+02 -0.110519D+02  0.208937D+00
      3  -0.138500D+02  0.398846D+01 -0.124159D+02  0.435554D+01  0.313871D+01
      4  -0.366758D+01 -0.156218D+02 -0.201133D+01 -0.977774D+01  0.894940D+01
      5   0.474563D+00 -0.256368D+01 -0.193971D+01 -0.550250D+00 -0.724166D+01
      6  -0.118484D+02 -0.101309D+02 -0.160741D+02  0.259656D+01  0.107710D+02
               101           102           103           104           105 
      1  -0.268537D+01 -0.110067D+02 -0.812727D+01  0.149012D+02  0.138787D+02
      2   0.433917D+01  0.986272D+01  0.143569D+02 -0.205272D+02 -0.285252D+02
      3  -0.165380D+01  0.114398D+01 -0.622965D+01  0.562596D+01  0.146465D+02
      4  -0.432638D+01  0.985556D+01 -0.774638D+01  0.153389D+02  0.117584D+02
      5  -0.645341D+00 -0.439255D+01 -0.140745D+01  0.107468D+02  0.147110D+01
      6   0.814993D+01  0.938327D+01  0.877728D+01 -0.291908D+02 -0.946178D+01
               106           107           108           109           110 
      1  -0.145404D+02  0.175089D+02  0.716055D+00 -0.906680D+01  0.328807D+01
      2   0.138415D+02 -0.305264D+02 -0.506292D+01  0.128284D+02 -0.288441D+01
      3   0.698967D+00  0.130175D+02  0.434687D+01 -0.376161D+01 -0.403659D+00
      4   0.991499D+01  0.159044D+02  0.128659D+02  0.379449D+01  0.405127D+01
      5  -0.641961D+01  0.446906D+01  0.120312D+00  0.910603D+01  0.375731D+01
      6   0.126661D+02 -0.121993D+02 -0.264005D+01 -0.367296D+01 -0.633335D+01
               111           112           113           114           115 
      1   0.122996D+02  0.638111D+01 -0.171185D+02 -0.684660D+01  0.828959D+01
      2  -0.604283D+01 -0.968793D+01  0.172785D+02  0.149298D+02 -0.185929D+01
      3  -0.625681D+01  0.330682D+01 -0.160026D+00 -0.808324D+01 -0.643029D+01
      4  -0.356504D+01  0.495336D+01 -0.793445D+01 -0.657070D+01 -0.536952D+01
      5  -0.168122D+01  0.399671D+01 -0.903261D+01 -0.302118D+01 -0.782693D+00
      6  -0.576565D+01 -0.525470D+01  0.114009D+02  0.454236D+01 -0.415320D+01
               116           117           118           119           120 
      1  -0.240775D+01  0.413280D+01 -0.411700D+01 -0.718663D+01  0.188137D+01
      2   0.637486D+01  0.480331D+01  0.512075D+01  0.647740D+01 -0.302212D+01
      3  -0.396710D+01 -0.893610D+01 -0.100375D+01  0.709232D+00  0.114075D+01
      4  -0.399277D+01 -0.309416D+01 -0.244456D+01  0.411620D+01  0.350908D-01
      5  -0.998219D+00 -0.111188D+01  0.550370D+00  0.137837D+01  0.738641D+00
      6   0.141420D+01 -0.725703D+01 -0.198875D+01 -0.221153D+01  0.130182D+01
               121           122           123           124           125 
      1  -0.578308D+01 -0.154247D+02  0.672861D+01  0.365017D+01  0.112396D+02
      2   0.141008D+01  0.286487D+02 -0.990181D+01 -0.162007D+01 -0.151736D+02
      3   0.437300D+01 -0.132239D+02  0.317320D+01 -0.203009D+01  0.393398D+01
      4   0.867293D+01 -0.208339D+02  0.542778D+01 -0.237816D+01  0.105006D+02
      5   0.112171D+00  0.665624D+01 -0.640024D+01  0.317824D+01 -0.902154D+01
      6  -0.626493D+00 -0.107173D+02  0.898403D+01 -0.139453D+01  0.124606D+02
               126           127           128           129           130 
      1  -0.635056D+01  0.359659D+02 -0.144108D+02 -0.115154D+02 -0.752291D+01
      2   0.764000D+01 -0.144035D+02  0.147471D+01  0.469861D+01 -0.368461D+01
      3  -0.128944D+01 -0.215624D+02  0.129361D+02  0.681675D+01  0.112075D+02
      4  -0.753234D+01 -0.350938D+02  0.242636D+02  0.146125D+02  0.232930D+02
      5   0.934355D+01 -0.211936D+02  0.118769D+02  0.143701D+02  0.957675D+01
      6  -0.115842D+02  0.111863D+02 -0.718565D+01 -0.724316D+01 -0.793547D+01
               131           132           133           134           135 
      1   0.482421D+01  0.284803D+01 -0.144818D+02  0.687383D+01  0.680311D+01
      2   0.702831D+01  0.117133D+01  0.671465D+01 -0.172836D+01 -0.419718D+01
      3  -0.118525D+02 -0.401937D+01  0.776715D+01 -0.514547D+01 -0.260593D+01
      4  -0.245753D+02 -0.108246D+02  0.210581D+02 -0.166884D+02 -0.163330D+02
      5  -0.955032D+01 -0.763826D+01  0.201969D+02 -0.138748D+02 -0.187323D+02
      6   0.776111D+01  0.783237D+01 -0.116944D+02  0.115316D+02  0.122197D+02
               136           137           138           139           140 
      1   0.229889D+02  0.906199D+01 -0.458131D+01  0.154528D+02  0.758555D+01
      2  -0.133064D+02 -0.480331D+01  0.313951D+01 -0.753927D+01 -0.306572D+01
      3  -0.968249D+01 -0.425869D+01  0.144180D+01 -0.791353D+01 -0.451982D+01
      4   0.804338D+01  0.707394D+01 -0.414692D+01  0.102644D+02  0.184119D+02
      5  -0.555776D+01 -0.425308D+01  0.744758D+01 -0.625059D+01 -0.853121D+01
      6  -0.145463D+01 -0.802877D+00  0.251843D+00 -0.101192D+01 -0.236962D+01
               141           142           143           144           145 
      1  -0.542031D+01 -0.112844D+02 -0.646382D+01  0.823881D+01  0.677840D+02
      2   0.238038D+01  0.706924D+01  0.513548D+01 -0.694799D+01 -0.390503D+02
      3   0.303993D+01  0.421518D+01  0.132834D+01 -0.129082D+01 -0.287337D+02
      4  -0.755682D+01 -0.744252D+01 -0.111167D+02  0.692481D+01 -0.173191D+02
      5   0.793918D+01  0.130617D+02  0.840396D+01 -0.147902D+02  0.304372D+02
      6   0.227273D+01  0.773243D+00  0.256239D+01 -0.151769D+01 -0.651558D+01
               146           147           148           149           150 
      1  -0.693482D+01  0.217523D+02 -0.872515D+01  0.837196D+01 -0.371666D+01
      2   0.284274D+01 -0.140990D+02  0.290020D+01 -0.369586D+01  0.170562D+01
      3   0.409208D+01 -0.765325D+01  0.582495D+01 -0.467610D+01  0.201104D+01
      4   0.102180D+02 -0.645785D+01  0.162449D+02 -0.727973D+01  0.518814D+01
      5  -0.488206D+01  0.185174D+02 -0.597092D+01  0.467298D+01 -0.313305D+01
      6   0.186772D+01 -0.353070D+01  0.402888D+01 -0.197751D+01  0.368792D+01
               151           152           153           154           155 
      1   0.311423D+02 -0.410702D+01  0.175857D+02  0.580431D+01 -0.416091D+01
      2  -0.220242D+02  0.221583D+01 -0.149841D+02  0.213890D+01  0.125353D+02
      3  -0.911808D+01  0.189120D+01 -0.260161D+01 -0.794322D+01 -0.837438D+01
      4  -0.107408D+02  0.452134D+01 -0.563675D+01  0.245109D+02  0.123726D+02
      5   0.286094D+02 -0.334749D+01  0.218698D+02  0.557448D+01  0.189498D+01
      6  -0.553360D+01  0.311530D+01 -0.469952D+01  0.989012D+01  0.444868D+01
               156           157           158           159           160 
      1   0.178643D+01 -0.366663D+01 -0.552963D+01 -0.101979D+01  0.727098D+00
      2   0.152784D+01  0.838787D+01  0.117675D+02  0.162629D+01  0.165488D+01
      3  -0.331428D+01 -0.472125D+01 -0.623784D+01 -0.606497D+00 -0.238198D+01
      4   0.966387D+01  0.731137D+01  0.101364D+02  0.310550D+01  0.150071D+02
      5   0.472305D+01  0.116090D+01  0.183721D+01  0.100241D+01  0.563071D+01
      6   0.869493D+01  0.255776D+01  0.273599D+01  0.501944D+01  0.104492D+02
               161           162           163           164           165 
      1  -0.232536D+01 -0.238863D+01 -0.441527D+01  0.495463D+00  0.996244D-01
      2   0.605640D+01  0.366814D+01  0.824052D+01  0.491785D+00 -0.181158D+00
      3  -0.373104D+01 -0.127951D+01 -0.382525D+01 -0.987248D+00  0.815335D-01
      4   0.739580D+01  0.983704D+01  0.229148D+01  0.137574D+02 -0.392026D+01
      5   0.281164D+01  0.537513D+01 -0.215903D+00 -0.272814D+01  0.302585D+01
      6   0.100180D+02  0.139198D+02 -0.378587D+01 -0.644271D+00  0.110982D+01
               166           167           168           169           170 
      1  -0.249361D+01 -0.425793D+02  0.154037D+02  0.233582D+01  0.240191D+02
      2   0.520757D+01  0.721568D+02 -0.233115D+02 -0.291466D+01 -0.333135D+02
      3  -0.271396D+01 -0.295775D+02  0.790777D+01  0.578835D+00  0.929435D+01
      4   0.903217D+01  0.677216D+01 -0.261064D+01 -0.333381D+01 -0.350693D+01
      5  -0.930323D+00 -0.847319D+00  0.701214D+00  0.262946D+01  0.156729D+01
      6  -0.225430D+01 -0.323026D+02  0.191726D+02  0.375799D+01  0.290809D+02
               171           172           173           174           175 
      1  -0.155784D+02  0.174218D+02  0.144766D+01  0.648455D+01  0.372659D+01
      2   0.181843D+02 -0.638122D+01 -0.855230D+01 -0.313257D+01 -0.717561D+01
      3  -0.260588D+01 -0.110406D+02  0.710463D+01 -0.335198D+01  0.344902D+01
      4   0.343167D+01 -0.258916D+02  0.114988D+02 -0.891514D+01  0.593971D+01
      5  -0.122894D+01  0.871178D+01 -0.130708D+01  0.712232D+01 -0.127773D+00
      6  -0.223117D+02 -0.922903D+01  0.195011D+01 -0.813570D+01  0.327890D+00
               176           177           178           179           180 
      1   0.813097D+00  0.100855D+01  0.836563D+01  0.300232D+00  0.284732D+01
      2   0.229266D+01 -0.740637D+00 -0.511883D+01 -0.330582D+01 -0.156812D+01
      3  -0.310575D+01 -0.267911D+00 -0.324680D+01  0.300558D+01 -0.127921D+01
      4  -0.756621D+01  0.112825D+01 -0.150065D+02  0.484438D+01 -0.100441D+02
      5   0.167063D+01 -0.444670D+00  0.917457D+01 -0.302096D+01  0.873746D+01
      6  -0.109168D+01  0.259841D+01 -0.106651D+02  0.646271D+01 -0.120990D+02
               181           182           183           184           185 
      1  -0.198211D+01  0.597488D+00  0.117326D+01  0.540500D+01 -0.323360D+02
      2   0.838874D+01 -0.768757D+01 -0.326503D+01 -0.142212D+02  0.593679D+02
      3  -0.640663D+01  0.709008D+01  0.209177D+01  0.881616D+01 -0.270319D+02
      4  -0.123293D+02  0.177145D+02  0.636256D+01  0.154926D+02 -0.269055D+02
      5  -0.272921D+01  0.445848D+01  0.451135D+01  0.312682D+01 -0.746863D+01
      6   0.583488D+01 -0.655653D+01 -0.496603D+01 -0.856144D+01  0.287822D+02
               186           187           188           189           190 
      1  -0.117004D+02  0.507269D+01 -0.178776D+02 -0.116994D+02  0.315370D+02
      2   0.193314D+02 -0.799662D+01  0.267244D+02  0.143096D+02 -0.192049D+02
      3  -0.763109D+01  0.292393D+01 -0.884673D+01 -0.261019D+01 -0.123321D+02
      4  -0.105162D+02  0.841363D+01 -0.155193D+02 -0.112833D+02 -0.538297D+00
      5  -0.455123D+01  0.564518D+01 -0.772232D+01 -0.685468D+01 -0.856341D+01
      6   0.176675D+02 -0.991264D+01  0.260438D+02  0.212461D+02 -0.229961D+00
               191           192           193           194           195 
      1  -0.750252D+01 -0.812646D+01 -0.148937D+02  0.893411D+01  0.679214D+01
      2   0.530961D+01  0.594887D+01  0.903539D+01 -0.708620D+01 -0.422007D+01
      3   0.219291D+01  0.217759D+01  0.585834D+01 -0.184791D+01 -0.257206D+01
      4   0.613225D+01  0.283535D+01  0.663993D+01 -0.109639D+02 -0.409191D+01
      5   0.439202D+01  0.912154D+01  0.638174D+01 -0.606224D+01 -0.614928D+01
      6   0.209495D+00  0.154245D+01  0.510835D+00  0.343319D+00  0.597479D+00
               196           197           198           199           200 
      1  -0.161718D+02  0.729805D+01  0.106550D+02  0.489847D+02  0.130779D+02
      2   0.117447D+02 -0.710253D+01 -0.936912D+01 -0.242297D+02 -0.371828D+01
      3   0.442710D+01 -0.195520D+00 -0.128592D+01 -0.247550D+02 -0.935967D+01
      4   0.361009D+01 -0.614359D+01 -0.231605D+01  0.323025D+02  0.173321D+02
      5   0.146390D+02 -0.525004D+01 -0.147337D+02  0.240450D+02  0.949831D+01
      6   0.238723D+01  0.991744D+00 -0.229861D+01  0.112436D+02  0.518292D+01
               201           202           203           204           205 
      1   0.155332D+02  0.117703D+02  0.745298D+01  0.491327D+01  0.213305D+02
      2  -0.863831D+01 -0.690268D+00  0.120164D+01 -0.103265D+01 -0.129908D+02
      3  -0.689486D+01 -0.110800D+02 -0.865462D+01 -0.388061D+01 -0.833966D+01
      4   0.124674D+02  0.230201D+02  0.182934D+02  0.931150D+01  0.202809D+02
      5   0.159246D+02  0.998759D+01  0.775118D+01  0.633235D+01  0.247826D+02
      6   0.673941D+01  0.754278D+01  0.586929D+01  0.627281D+01  0.112117D+02
               206           207           208           209           210 
      1   0.712773D+01  0.127171D+02 -0.718350D+01  0.836881D+01  0.364345D+01
      2  -0.298273D+01 -0.101144D+02  0.771752D+01 -0.109915D+02 -0.554919D+01
      3  -0.414500D+01 -0.260265D+01 -0.534025D+00  0.262268D+01  0.190574D+01
      4   0.109999D+02  0.128994D+02 -0.365408D+01  0.404204D+01  0.979973D+00
      5   0.902819D+01  0.199491D+02  0.450972D+00 -0.162923D+01  0.205358D-01
      6   0.693331D+01  0.100882D+02  0.348015D+01 -0.472858D+01 -0.364653D+01
               211           212           213           214           215 
      1   0.514503D+01 -0.203458D+02 -0.765933D+01  0.580051D+01 -0.136784D+02
      2  -0.411455D+01  0.340050D+02  0.104309D+02 -0.483341D+01  0.179955D+02
      3  -0.103048D+01 -0.136593D+02 -0.277158D+01 -0.967099D+00 -0.431705D+01
      4   0.639872D+01  0.108195D+02  0.929506D+00  0.257626D+01  0.343994D+01
      5  -0.807363D+00  0.330775D+01  0.404570D+01  0.122305D+01  0.608933D+01
      6  -0.287715D+01  0.106570D+02  0.971265D+01 -0.154244D+01  0.144236D+02
               216           217           218           219           220 
      1  -0.915353D+01  0.146839D+02  0.718144D+01 -0.383759D+01  0.154676D+01
      2   0.104450D+02  0.319477D+00  0.658560D+01 -0.173210D+01  0.104842D+02
      3  -0.129149D+01 -0.150034D+02 -0.137670D+02  0.556969D+01 -0.120309D+02
      4   0.314272D+01  0.301514D+02  0.274794D+02 -0.136647D+02  0.236604D+02
      5   0.610218D+01 -0.128352D+02 -0.111249D+02  0.102951D+02 -0.870787D+01
      6   0.135840D+02 -0.108696D+02 -0.102137D+02  0.789119D+01 -0.103490D+02
               221           222           223           224           225 
      1  -0.631746D+01  0.165857D+01 -0.315960D+01  0.111642D+01 -0.193924D+01
      2   0.247206D+02 -0.727562D+01 -0.304706D+01 -0.806629D+01  0.454498D+01
      3  -0.184031D+02  0.561705D+01  0.620666D+01  0.694988D+01 -0.260574D+01
      4   0.336518D+02 -0.137604D+02 -0.185483D+02 -0.220850D+02  0.169281D+02
      5  -0.120894D+02  0.828612D+01  0.133496D+02  0.143572D+02 -0.150129D+02
      6  -0.152673D+02  0.119136D+02  0.121690D+02  0.183755D+02 -0.165778D+02
               226           227           228           229           230 
      1  -0.587810D+01  0.963268D+01 -0.707158D+01  0.615403D+01 -0.140548D+02
      2   0.504945D+01 -0.924323D+01  0.447546D+01 -0.507954D+01  0.180084D+02
      3   0.828652D+00 -0.389448D+00  0.259612D+01 -0.107449D+01 -0.395354D+01
      4  -0.100303D+02  0.265685D+01 -0.226965D+01  0.709998D+01 -0.454754D+01
      5   0.339024D+01 -0.221658D+01  0.146748D+01 -0.165930D+01  0.213098D+01
      6  -0.448352D+01  0.120870D+02 -0.869229D+01  0.549348D+01 -0.135239D+02
               231           232           233           234           235 
      1   0.806543D+01 -0.275185D+01  0.581479D+01 -0.747044D+01  0.156537D+01
      2  -0.675862D+01  0.147938D+01 -0.239720D+01  0.147356D+01 -0.505566D+01
      3  -0.130680D+01  0.127248D+01 -0.341759D+01  0.599688D+01  0.349029D+01
      4   0.338707D+01 -0.122706D+01  0.405069D+01 -0.326771D+01  0.272478D+01
      5  -0.564074D+00  0.198055D+01 -0.105453D+01  0.328540D+00 -0.638979D+01
      6   0.964709D+01 -0.435508D+01  0.748992D+01 -0.906403D+01 -0.219958D+01
               236           237           238           239           240 
      1   0.271067D+00 -0.680405D+00 -0.349372D+00 -0.764414D-01 -0.123443D+01
      2   0.647779D+00  0.706309D+01  0.149284D+01 -0.396436D+01 -0.611059D+01
      3  -0.918846D+00 -0.638268D+01 -0.114347D+01  0.404080D+01  0.734502D+01
      4   0.248974D+01 -0.161534D+01 -0.228422D+01 -0.608368D+01  0.887632D+00
      5  -0.426019D+00  0.923151D+01  0.229971D+01 -0.626062D-01 -0.462210D+01
      6  -0.217681D+00  0.315659D+01  0.195129D+01  0.259016D+01 -0.394512D+00
               241           242           243           244           245 
      1   0.541864D+00  0.237008D+01 -0.111322D+02  0.105515D+02 -0.378317D+01
      2   0.523440D+01 -0.253679D+01 -0.181900D+02 -0.656434D+01  0.354002D+01
      3  -0.577627D+01  0.166710D+00  0.293222D+02 -0.398719D+01  0.243148D+00
      4  -0.327930D+01 -0.305317D+01  0.376169D+00 -0.792840D+01  0.801314D+01
      5   0.711604D+01  0.897467D+00 -0.161771D+02  0.773446D+01 -0.604697D+01
      6   0.281827D+01  0.479383D+01 -0.135575D+02 -0.340558D+01  0.276672D+01
               246           247           248           249           250 
      1   0.316709D+01 -0.969674D+01  0.199105D+01 -0.347357D+01 -0.393307D+00
      2  -0.373908D+01  0.877086D+01 -0.285613D+01  0.633342D+01 -0.256783D+01
      3   0.571996D+00  0.925873D+00  0.865077D+00 -0.285986D+01  0.296113D+01
      4  -0.515380D+01  0.612021D+01 -0.155753D+02  0.648330D+01 -0.482733D+01
      5   0.668872D+01 -0.122808D+02  0.811234D+01 -0.101415D+02  0.571520D+01
      6  -0.201119D+01  0.504576D+01 -0.668477D+01  0.439186D+01 -0.207997D+01
               251           252           253           254           255 
      1  -0.457873D+00 -0.824301D+00 -0.601238D+01  0.972762D+00  0.361069D+01
      2   0.259088D+01 -0.517677D+01  0.254919D+01  0.166580D+00  0.178510D+01
      3  -0.213301D+01  0.600107D+01  0.346319D+01 -0.113934D+01 -0.539578D+01
      4   0.352984D+01 -0.508930D+01 -0.377341D+01 -0.306271D+00 -0.105663D+01
      5  -0.537818D+01  0.864977D+01 -0.261559D+01 -0.739220D+00 -0.113318D+00
      6   0.374363D+01 -0.272407D+01  0.729532D+00 -0.363808D+00 -0.206292D+01
               256           257           258           259           260 
      1   0.266163D+01 -0.399547D+01 -0.690742D+01  0.274491D+01 -0.411036D+01
      2  -0.173025D+01 -0.563403D-01 -0.118581D+01 -0.412289D+01 -0.151744D+01
      3  -0.931379D+00  0.405181D+01  0.809323D+01  0.137798D+01  0.562779D+01
      4   0.419507D+01  0.356878D+01  0.376697D+01  0.237695D+01  0.349593D+01
      5   0.206835D+01  0.391980D+01  0.570837D+01  0.590452D+01  0.316445D+01
      6   0.167142D+01  0.559313D+01  0.894254D+01  0.124086D+01  0.602244D+01
               261           262           263           264           265 
      1  -0.175222D+02  0.198222D+02  0.335834D+01 -0.695995D+01  0.176209D+01
      2  -0.118251D+02 -0.176818D+02 -0.613042D+01  0.938460D+01 -0.384993D+01
      3   0.293472D+02 -0.214043D+01  0.277208D+01 -0.242465D+01  0.208784D+01
      4   0.213675D+01 -0.121318D+02  0.587563D+01  0.600761D+01  0.340962D+00
      5   0.173557D+02 -0.183981D+02  0.180885D+01  0.115967D+02 -0.418515D+01
      6   0.120332D+02  0.584158D+01 -0.246733D+01 -0.527987D+01  0.342056D+00
               266           267           268           269           270 
      1   0.515166D+01 -0.840719D-01 -0.408442D+01  0.646878D+00  0.206425D+01
      2  -0.414850D+01  0.168420D+01  0.767451D+01 -0.125290D+01 -0.804958D+01
      3  -0.100316D+01 -0.160012D+01 -0.359009D+01  0.606018D+00  0.598533D+01
      4   0.868498D+00  0.994204D+00  0.191174D+01  0.290460D+00 -0.222502D+01
      5   0.677546D-01  0.284073D+01  0.843986D+01  0.628014D+00 -0.800736D+01
      6  -0.165826D+01 -0.504904D+00 -0.267128D+01  0.101032D+01  0.422538D+01
               271           272           273           274           275 
      1  -0.337160D+00 -0.614572D+01 -0.815184D+01 -0.153693D+01 -0.314787D+01
      2  -0.444866D+01  0.576077D+01 -0.138098D+01  0.136919D+01  0.413513D+00
      3   0.478582D+01  0.384948D+00  0.953282D+01  0.167735D+00  0.273435D+01
      4   0.438115D+01 -0.200179D+01  0.270391D+01 -0.248715D+00  0.184847D+01
      5   0.178019D+01 -0.829643D+00  0.263605D+01 -0.311584D+00  0.177731D+01
      6   0.179639D+01  0.574459D+01  0.842358D+01  0.230962D+01  0.359446D+01
               276           277           278           279           280 
      1  -0.283436D+01 -0.227842D+01 -0.665638D+01 -0.167855D+02  0.127951D+02
      2   0.959725D+00 -0.738377D+00  0.171874D+01 -0.125676D+02 -0.119233D+02
      3   0.187464D+01  0.301680D+01  0.493764D+01  0.293531D+02 -0.871776D+00
      4   0.137152D+01  0.335058D+01 -0.149632D+01  0.285506D+01  0.181803D+02
      5   0.641403D+00  0.376656D+01 -0.896160D+00 -0.368751D+01 -0.159774D+02
      6   0.620854D+01  0.102565D+01  0.816817D+01  0.208160D+02 -0.919146D+01
               281           282           283           284           285 
      1  -0.357169D+01 -0.272700D+01  0.501826D+00  0.360557D+01 -0.124561D+01
      2   0.631193D+01  0.547420D+01  0.155577D+01 -0.133500D+01  0.316744D+00
      3  -0.274024D+01 -0.274720D+01 -0.205759D+01 -0.227057D+01  0.928864D+00
      4   0.715507D+01 -0.926789D+01  0.327996D+01  0.312367D+01 -0.109113D+01
      5  -0.521745D+01  0.102164D+02 -0.139658D+00 -0.688898D+00 -0.253134D-01
      6  -0.568969D+01  0.808769D+01 -0.144475D+01  0.484174D+00  0.875443D+00
               286           287           288           289           290 
      1  -0.214271D+01 -0.124819D+01  0.322165D+00 -0.611690D+00  0.670915D+01
      2   0.545830D+01  0.274953D+01 -0.630242D+01 -0.418521D+01 -0.686219D+01
      3  -0.331559D+01 -0.150134D+01  0.598026D+01  0.479690D+01  0.153038D+00
      4  -0.434633D+01 -0.136164D+01  0.443034D+01 -0.321039D+01  0.981182D+00
      5   0.746300D+01  0.107439D+01 -0.667359D+01  0.242726D+01 -0.709032D+00
      6   0.436930D+01  0.199980D+01 -0.612673D+01 -0.338157D+01  0.567234D+01
               291           292           293           294           295 
      1  -0.666950D+01  0.183410D+01  0.138378D+00  0.203069D+00 -0.226363D+01
      2  -0.302817D+01 -0.220520D+01 -0.285871D+01 -0.834657D+00 -0.190919D+01
      3   0.969767D+01  0.371107D+00  0.272034D+01  0.631588D+00  0.417283D+01
      4  -0.443124D+01  0.280602D+00 -0.209986D+01  0.103392D+01 -0.338023D+01
      5   0.508656D+01 -0.348357D+00  0.237345D+01 -0.945963D+00  0.407814D+01
      6  -0.870508D+01  0.222673D+01 -0.903420D+00  0.372512D+01 -0.210380D+01
               296           297           298           299           300 
      1   0.646445D+01 -0.151002D+02  0.363260D+01  0.191324D+01  0.283794D+00
      2  -0.246350D+01 -0.142426D+02 -0.252866D+00 -0.560683D+00 -0.117171D+00
      3  -0.400095D+01  0.293428D+02 -0.337973D+01 -0.135256D+01 -0.166622D+00
      4  -0.113081D+00 -0.352754D+01  0.676699D+01  0.667971D+01  0.395018D+01
      5  -0.188485D+00  0.172476D+01  0.274712D+01  0.426177D+01  0.358543D+01
      6   0.783823D+01 -0.210421D+02  0.248569D+01  0.261972D+01  0.178996D+01
               301           302           303           304           305 
      1   0.799910D+01 -0.405747D+01 -0.284352D+00 -0.242291D+01 -0.215478D+01
      2  -0.597141D+01  0.377311D+01 -0.263530D+01  0.994639D-01 -0.668535D+00
      3  -0.202769D+01  0.284366D+00  0.291965D+01  0.232345D+01  0.282332D+01
      4   0.776752D+01  0.190867D+02  0.936690D+01  0.361104D+01  0.491046D+01
      5   0.969657D+01  0.100413D+02  0.992915D+01  0.376612D+01  0.538859D+01
      6   0.640629D+01  0.113039D+02  0.754372D+01  0.208623D+01  0.571597D+01
               306           307           308           309           310 
      1  -0.361480D+01 -0.566791D+01 -0.174561D+01  0.168775D+01 -0.539947D+01
      2  -0.240329D+01  0.266887D+01  0.882117D+00  0.145473D+01  0.475779D+01
      3   0.601808D+01  0.299905D+01  0.863495D+00 -0.314249D+01  0.641679D+00
      4   0.550479D+01  0.326584D+00  0.695684D+00  0.125954D+00  0.372592D+01
      5   0.769297D+01 -0.143941D+01 -0.947301D+00  0.138643D+01 -0.418716D+01
      6   0.483299D+01 -0.179376D+01  0.507438D+00  0.868805D-01  0.178818D+01
               311           312           313           314           315 
      1  -0.362079D+01  0.529992D+01  0.281061D+01  0.304346D+01 -0.161003D+02
      2  -0.907754D+00  0.391230D+01 -0.556960D+01  0.206092D+01 -0.132296D+02
      3   0.452854D+01 -0.921222D+01  0.275899D+01 -0.510437D+01  0.293299D+02
      4  -0.321785D+01  0.488500D+01 -0.132953D+01  0.347498D+01 -0.326345D+01
      5   0.433281D+01 -0.770725D+01  0.699886D+01 -0.290978D+01  0.198376D+02
      6  -0.401104D+01  0.748120D+01 -0.976657D+00  0.493354D+01 -0.725306D+01
               316           317           318           319           320 
      1  -0.579248D+01 -0.752303D+01 -0.498046D+01 -0.670871D+01 -0.185122D+02
      2   0.563089D+01  0.604858D+01  0.279247D+01  0.455316D+01  0.217771D+02
      3   0.161589D+00  0.147444D+01  0.218799D+01  0.215556D+01 -0.326496D+01
      4   0.516047D+01  0.570498D-01 -0.666707D+00  0.579533D+01 -0.298595D+01
      5   0.210577D+01 -0.248612D-01 -0.281985D+00  0.111609D+01 -0.131473D+01
      6   0.131088D+01  0.904651D+01  0.610558D+01  0.251586D+01  0.174951D+02
               321           322           323           324           325 
      1  -0.103818D+02 -0.112625D+01 -0.782737D+01 -0.851577D+01  0.215617D+01
      2   0.844975D+01  0.763635D+00  0.419231D+01  0.250222D+01 -0.516892D+01
      3   0.193202D+01  0.362612D+00  0.363507D+01  0.601355D+01  0.301274D+01
      4  -0.881381D+00 -0.350825D+00  0.148154D+01  0.648921D+00 -0.459137D+00
      5  -0.203980D+01  0.101169D+01 -0.648873D+00 -0.198342D+01 -0.571673D+01
      6   0.114064D+02  0.265212D+01  0.847967D+01  0.887404D+01 -0.108973D-02
               326           327           328           329           330 
      1  -0.806525D-01 -0.122746D+01  0.279688D+01 -0.298098D+01  0.826508D+00
      2  -0.585731D+00  0.553801D+01 -0.367844D+01 -0.152644D+01  0.790277D+01
      3   0.666383D+00 -0.431055D+01  0.881554D+00  0.450742D+01 -0.872928D+01
      4   0.490513D+00 -0.389883D+00 -0.330681D+01  0.599271D+01 -0.528019D+00
      5  -0.120849D+01  0.826299D+01 -0.438920D+01 -0.422849D+00  0.691067D+01
      6   0.569799D+00 -0.872630D+00  0.197694D+01 -0.204169D+01  0.580957D+00
               331           332           333 
      1  -0.592000D+00 -0.720025D+00 -0.113923D+02
      2   0.615330D+01  0.235007D+01 -0.179394D+02
      3  -0.556130D+01 -0.163004D+01  0.293317D+02
      4   0.262492D+01 -0.330178D+01  0.140570D+01
      5   0.790280D+01 -0.814902D-01 -0.191096D+02
      6  -0.201037D+01  0.403057D+01  0.898889D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 15:19:19 2021, MaxMem=  5637144576 cpu:           57576.6 elap:            7231.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80895 -14.80893 -14.80892 -14.80890 -14.80890
 Alpha  occ. eigenvalues --  -14.80889 -10.63400 -10.63397 -10.63395 -10.63380
 Alpha  occ. eigenvalues --  -10.63377 -10.63375  -3.71927  -2.46780  -2.46778
 Alpha  occ. eigenvalues --   -2.46326  -1.36417  -1.35284  -1.35283  -1.32748
 Alpha  occ. eigenvalues --   -1.32746  -1.32660  -1.15093  -1.14868  -1.14865
 Alpha  occ. eigenvalues --   -1.03656  -1.03060  -1.03058  -0.96982  -0.96977
 Alpha  occ. eigenvalues --   -0.95709  -0.95126  -0.95124  -0.94350  -0.94295
 Alpha  occ. eigenvalues --   -0.93077  -0.93075  -0.87363  -0.87358  -0.86735
 Alpha  occ. eigenvalues --   -0.86594  -0.85938  -0.85937  -0.84410  -0.83168
 Alpha  occ. eigenvalues --   -0.83167  -0.79286  -0.79284  -0.78096  -0.77980
 Alpha  occ. eigenvalues --   -0.77978  -0.76935  -0.75160  -0.74266  -0.74265
 Alpha  occ. eigenvalues --   -0.71452  -0.71451  -0.71182
 Alpha virt. eigenvalues --   -0.47991  -0.47983  -0.40581  -0.38777  -0.37645
 Alpha virt. eigenvalues --   -0.37644  -0.34859  -0.34855  -0.34164  -0.32028
 Alpha virt. eigenvalues --   -0.32023  -0.31188  -0.31186  -0.31182  -0.28734
 Alpha virt. eigenvalues --   -0.28207  -0.28079  -0.28077  -0.26726  -0.26724
 Alpha virt. eigenvalues --   -0.26412  -0.25572  -0.25094  -0.25090  -0.24552
 Alpha virt. eigenvalues --   -0.24551  -0.24469  -0.22901  -0.21745  -0.21741
 Alpha virt. eigenvalues --   -0.21186  -0.21182  -0.20921  -0.20560  -0.20440
 Alpha virt. eigenvalues --   -0.20440  -0.19579  -0.19122  -0.19120  -0.18601
 Alpha virt. eigenvalues --   -0.18429  -0.17239  -0.17233  -0.16776  -0.16774
 Alpha virt. eigenvalues --   -0.15833  -0.15615  -0.14561  -0.14555  -0.13250
 Alpha virt. eigenvalues --   -0.13137  -0.13134  -0.12506  -0.12505  -0.10453
 Alpha virt. eigenvalues --   -0.10194  -0.10043  -0.10040  -0.08458  -0.08293
 Alpha virt. eigenvalues --   -0.08290  -0.06726  -0.06725  -0.06448  -0.05585
 Alpha virt. eigenvalues --   -0.04833  -0.04833  -0.04458  -0.04166  -0.04166
 Alpha virt. eigenvalues --   -0.03821  -0.03815  -0.02779  -0.01746  -0.01013
 Alpha virt. eigenvalues --   -0.01010  -0.00612  -0.00243  -0.00234   0.00398
 Alpha virt. eigenvalues --    0.01449   0.01449   0.01652   0.01658   0.01715
 Alpha virt. eigenvalues --    0.02078   0.02079   0.02166   0.03470   0.03822
 Alpha virt. eigenvalues --    0.03823   0.04709   0.04717   0.05037   0.05772
 Alpha virt. eigenvalues --    0.05777   0.06037   0.06767   0.06773   0.07207
 Alpha virt. eigenvalues --    0.08582   0.09000   0.09871   0.09877   0.10047
 Alpha virt. eigenvalues --    0.10421   0.10422   0.10628   0.11477   0.11487
 Alpha virt. eigenvalues --    0.12321   0.12882   0.12884   0.13830   0.14181
 Alpha virt. eigenvalues --    0.14187   0.14678   0.14888   0.14899   0.15329
 Alpha virt. eigenvalues --    0.15329   0.15349   0.15798   0.15805   0.17133
 Alpha virt. eigenvalues --    0.17138   0.17725   0.17744   0.17748   0.17790
 Alpha virt. eigenvalues --    0.18417   0.18420   0.19037   0.19693   0.19959
 Alpha virt. eigenvalues --    0.19962   0.21309   0.21316   0.21678   0.22899
 Alpha virt. eigenvalues --    0.24079   0.24378   0.24385   0.25544   0.25548
 Alpha virt. eigenvalues --    0.25944   0.26705   0.26797   0.26806   0.27756
 Alpha virt. eigenvalues --    0.27761   0.29815   0.30681   0.30684   0.31729
 Alpha virt. eigenvalues --    0.32576   0.32581   0.32652   0.32658   0.33423
 Alpha virt. eigenvalues --    0.34561   0.34942   0.34987   0.34995   0.36248
 Alpha virt. eigenvalues --    0.37121   0.37127   0.38043   0.38051   0.40161
 Alpha virt. eigenvalues --    0.40249   0.40311   0.40319   0.43059   0.43067
 Alpha virt. eigenvalues --    0.43698   0.43709   0.45043   0.46889   0.46905
 Alpha virt. eigenvalues --    0.47148   0.49177   0.49181   0.51141   0.52714
 Alpha virt. eigenvalues --    0.52718   0.53775   0.54091   0.55075   0.55089
 Alpha virt. eigenvalues --    0.57400   0.58304   0.58720   0.58727   0.59815
 Alpha virt. eigenvalues --    0.59819   0.60246   0.61524   0.61527   0.62051
 Alpha virt. eigenvalues --    0.62061   0.63076   0.64778   0.64998   0.65011
 Alpha virt. eigenvalues --    0.65634   0.65637   0.66458   0.67591   0.69483
 Alpha virt. eigenvalues --    0.69485   0.72360   0.72362   0.72400   0.74014
 Alpha virt. eigenvalues --    0.74021   0.75268   0.76485   0.76494   0.77013
 Alpha virt. eigenvalues --    0.79122   0.79142   0.82560   0.82572   0.83900
 Alpha virt. eigenvalues --    0.83968   0.85386   0.85401   0.87940   0.90511
 Alpha virt. eigenvalues --    0.92424   0.92435   0.94602   0.94617   0.96999
 Alpha virt. eigenvalues --    0.97015   0.97043   0.98857   1.02440   1.02453
 Alpha virt. eigenvalues --    1.03568   1.06336   1.06344   1.11243   1.13172
 Alpha virt. eigenvalues --    1.13179   1.14276   1.14440   1.17637   1.17650
 Alpha virt. eigenvalues --    1.18437   1.18440   1.19422   1.19433   1.20505
 Alpha virt. eigenvalues --    1.23968   1.26756   1.30528   1.30545   1.30571
 Alpha virt. eigenvalues --    1.30578   1.30889   1.33784   1.33805   1.34941
 Alpha virt. eigenvalues --    1.34944   1.38222   1.38356   1.38365   1.41673
 Alpha virt. eigenvalues --    1.41829   1.41837   1.42567   1.43630   1.43637
 Alpha virt. eigenvalues --    1.44331   1.48766   1.50594   1.50610   1.50806
 Alpha virt. eigenvalues --    1.51668   1.51669   1.52637   1.53481   1.53493
 Alpha virt. eigenvalues --    1.53948   1.56558   1.56566   1.57160   1.58339
 Alpha virt. eigenvalues --    1.58347   1.60944   1.62101   1.63301   1.63308
 Alpha virt. eigenvalues --    1.64947   1.64962   1.66127   1.66133   1.67792
 Alpha virt. eigenvalues --    1.67960   1.69622   1.69746   1.69750   1.71333
 Alpha virt. eigenvalues --    1.72414   1.72422   1.74499   1.74517   1.75342
 Alpha virt. eigenvalues --    1.77017   1.77368   1.79151   1.79157   1.81451
 Alpha virt. eigenvalues --    1.81453   1.81656   1.82733   1.82738   1.83750
 Alpha virt. eigenvalues --    1.83988   1.84018   1.85285   1.85292   1.85926
 Alpha virt. eigenvalues --    1.88456   1.88471   1.92708   1.92735   1.94763
 Alpha virt. eigenvalues --    1.95080   1.96480   1.98008   1.98015   2.00076
 Alpha virt. eigenvalues --    2.00088   2.00375   2.02053   2.04138   2.04163
 Alpha virt. eigenvalues --    2.05895   2.05914   2.08412   2.08459   2.08473
 Alpha virt. eigenvalues --    2.12142   2.12562   2.12972   2.14183   2.14190
 Alpha virt. eigenvalues --    2.15090   2.15094   2.16959   2.17269   2.17278
 Alpha virt. eigenvalues --    2.23114   2.23447   2.23477   2.24900   2.24912
 Alpha virt. eigenvalues --    2.25793   2.29610   2.33756   2.33773   2.37536
 Alpha virt. eigenvalues --    2.39049   2.39054   2.39628   2.40011   2.42695
 Alpha virt. eigenvalues --    2.42701   2.44000   2.44005   2.44763   2.44776
 Alpha virt. eigenvalues --    2.45141   2.47016   2.50972   2.50978   2.56994
 Alpha virt. eigenvalues --    2.57005   2.58525   2.58556   2.63087   2.63090
 Alpha virt. eigenvalues --    2.68793   2.68799   2.70212   2.77515   2.79044
 Alpha virt. eigenvalues --    2.79047   2.79534   2.79684   2.79693   2.91866
 Alpha virt. eigenvalues --    2.98061   2.98062   3.00038   3.00712   3.00718
 Alpha virt. eigenvalues --    3.01113   3.17806   3.22617   3.22623   3.24307
 Alpha virt. eigenvalues --    3.27234   3.27241  48.42770
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.384798   0.211081   0.118158   0.075661  -0.379299  -0.004528
     2  C    0.211081   4.384810  -0.378452   0.075326   0.118299  -0.003785
     3  N    0.118158  -0.378452  11.375564  -1.392305  -0.219597  -0.074533
     4  Rh   0.075661   0.075326  -1.392305  19.800046  -1.390394  -1.392103
     5  N   -0.379299   0.118299  -0.219597  -1.390394  11.374501  -0.048412
     6  N   -0.004528  -0.003785  -0.074533  -1.392103  -0.048412  11.374628
     7  C    0.000453   0.000453  -0.003776   0.075315  -0.007233  -0.378209
     8  C   -0.005909   0.000456  -0.004516   0.075328   0.026022   0.118037
     9  N    0.025898  -0.007141  -0.048670  -1.388739   0.248755  -0.219350
    10  N   -0.003747  -0.004532  -0.049130  -1.393051  -0.074318   0.250064
    11  C    0.000452   0.000453  -0.007057   0.075714  -0.003744   0.025869
    12  C    0.000454  -0.005945   0.025980   0.075411  -0.004551  -0.007110
    13  N   -0.007114   0.025974   0.250133  -1.390842  -0.048653  -0.049179
    14  H    0.003118  -0.000334   0.003363   0.058146  -0.039416  -0.057273
    15  H   -0.000280   0.000044   0.001102   0.057623  -0.005690   0.050863
    16  H    0.000161   0.000006   0.000203   0.058140  -0.004853  -0.080218
    17  H    0.000002   0.000001   0.000685   0.057959   0.006321  -0.272306
    18  H    0.000006   0.000161  -0.004870   0.058129   0.000197  -0.039499
    19  H    0.000001   0.000001   0.006339   0.057618   0.000682  -0.005711
    20  H   -0.000340   0.003134  -0.039630   0.058206   0.003365  -0.004849
    21  H    0.000045  -0.000278  -0.005699   0.057705   0.001108   0.006323
    22  H    0.003107   0.171569  -0.080237   0.058115  -0.057163   0.000201
    23  H   -0.015973   0.355209  -0.272383   0.057958   0.050755   0.000685
    24  H    0.172279   0.002849  -0.057251   0.058045  -0.080641   0.003354
    25  H    0.354650  -0.015648   0.050918   0.057517  -0.271224   0.001099
    26  H    0.122510  -0.015872   0.045248   0.250531  -0.790855  -0.023156
    27  H    0.045416  -0.025272  -0.013112   0.140350  -0.185768  -0.014218
    28  H   -0.015863   0.122710  -0.792428   0.251288   0.045210   0.002057
    29  H   -0.025315   0.045277  -0.186556   0.140420  -0.012929  -0.002575
    30  H    0.001739   0.008207  -0.083443   0.250750  -0.022845   0.008724
    31  H    0.000319  -0.003713  -0.006107   0.140452  -0.014319  -0.012826
    32  H    0.000156  -0.000038   0.008739   0.250908   0.002031  -0.083496
    33  H    0.000271   0.001072  -0.012831   0.140681  -0.002583  -0.006157
    34  H   -0.000039   0.000159   0.002057   0.251428   0.008677  -0.792473
    35  H    0.001082   0.000275  -0.002573   0.140448  -0.013157  -0.185933
    36  H    0.008143   0.001728  -0.023002   0.250526  -0.083273   0.045169
    37  H   -0.003673   0.000320  -0.014125   0.140215  -0.006090  -0.013102
               7          8          9         10         11         12
     1  C    0.000453  -0.005909   0.025898  -0.003747   0.000452   0.000454
     2  C    0.000453   0.000456  -0.007141  -0.004532   0.000453  -0.005945
     3  N   -0.003776  -0.004516  -0.048670  -0.049130  -0.007057   0.025980
     4  Rh   0.075315   0.075328  -1.388739  -1.393051   0.075714   0.075411
     5  N   -0.007233   0.026022   0.248755  -0.074318  -0.003744  -0.004551
     6  N   -0.378209   0.118037  -0.219350   0.250064   0.025869  -0.007110
     7  C    4.384764   0.210977   0.118149   0.026064  -0.005931   0.000457
     8  C    0.210977   4.384578  -0.377959  -0.007206   0.000450   0.000453
     9  N    0.118149  -0.377959  11.367866  -0.048444  -0.004526  -0.003769
    10  N    0.026064  -0.007206  -0.048444  11.380519  -0.379892   0.118079
    11  C   -0.005931   0.000450  -0.004526  -0.379892   4.385044   0.211098
    12  C    0.000457   0.000453  -0.003769   0.118079   0.211098   4.384902
    13  N   -0.004508  -0.003758  -0.074234  -0.219813   0.118120  -0.378795
    14  H    0.002944   0.172115  -0.080499  -0.004893   0.000161   0.000006
    15  H   -0.015742   0.354801  -0.271538   0.006362   0.000001   0.000001
    16  H    0.171695   0.003119  -0.057225  -0.039664   0.003134  -0.000337
    17  H    0.355142  -0.015962   0.050747  -0.005707  -0.000278   0.000044
    18  H    0.003121  -0.000338   0.003361  -0.080444   0.171992   0.003039
    19  H   -0.000280   0.000044   0.001103  -0.271881   0.354893  -0.015759
    20  H    0.000161   0.000006   0.000199  -0.057391   0.003133   0.171617
    21  H    0.000001   0.000001   0.000682   0.050948  -0.015972   0.355219
    22  H    0.000006   0.000161  -0.004827   0.003359  -0.000340   0.003134
    23  H    0.000001   0.000001   0.006296   0.001111   0.000045  -0.000278
    24  H   -0.000334   0.003111  -0.039349   0.000196   0.000005   0.000161
    25  H    0.000044  -0.000281  -0.005683   0.000683   0.000001   0.000001
    26  H    0.001761   0.008149  -0.083201   0.002030   0.000155  -0.000035
    27  H    0.000318  -0.003678  -0.006119  -0.002595   0.000272   0.001074
    28  H    0.000159  -0.000040   0.008686  -0.022758   0.001745   0.008196
    29  H    0.000273   0.001070  -0.012902  -0.014325   0.000317  -0.003710
    30  H   -0.000039   0.000157   0.002033   0.045252  -0.015864   0.122762
    31  H    0.001066   0.000272  -0.002578  -0.013115  -0.025265   0.045325
    32  H    0.008197   0.001751  -0.023009  -0.792553   0.122675  -0.015832
    33  H   -0.003702   0.000318  -0.014360  -0.186776   0.045423  -0.025233
    34  H    0.122649  -0.015820   0.045173  -0.083571   0.008186   0.001735
    35  H    0.045185  -0.025332  -0.012950  -0.006120  -0.003687   0.000324
    36  H   -0.015829   0.122386  -0.789779   0.008682  -0.000038   0.000157
    37  H   -0.025312   0.045245  -0.184809  -0.013150   0.001081   0.000275
              13         14         15         16         17         18
     1  C   -0.007114   0.003118  -0.000280   0.000161   0.000002   0.000006
     2  C    0.025974  -0.000334   0.000044   0.000006   0.000001   0.000161
     3  N    0.250133   0.003363   0.001102   0.000203   0.000685  -0.004870
     4  Rh  -1.390842   0.058146   0.057623   0.058140   0.057959   0.058129
     5  N   -0.048653  -0.039416  -0.005690  -0.004853   0.006321   0.000197
     6  N   -0.049179  -0.057273   0.050863  -0.080218  -0.272306  -0.039499
     7  C   -0.004508   0.002944  -0.015742   0.171695   0.355142   0.003121
     8  C   -0.003758   0.172115   0.354801   0.003119  -0.015962  -0.000338
     9  N   -0.074234  -0.080499  -0.271538  -0.057225   0.050747   0.003361
    10  N   -0.219813  -0.004893   0.006362  -0.039664  -0.005707  -0.080444
    11  C    0.118120   0.000161   0.000001   0.003134  -0.000278   0.171992
    12  C   -0.378795   0.000006   0.000001  -0.000337   0.000044   0.003039
    13  N   11.373393   0.000201   0.000682   0.003371   0.001105  -0.057273
    14  H    0.000201   1.223396  -0.273611   0.071730  -0.067210   0.000094
    15  H    0.000682  -0.273611   1.384594  -0.067231   0.001594  -0.000134
    16  H    0.003371   0.071730  -0.067231   1.223462  -0.273859  -0.001787
    17  H    0.001105  -0.067210   0.001594  -0.273859   1.385424   0.000629
    18  H   -0.057273   0.000094  -0.000134  -0.001787   0.000629   1.223529
    19  H    0.050928   0.000002   0.000001   0.000633   0.000046  -0.273641
    20  H   -0.080059   0.000003  -0.000003   0.000094   0.000001   0.071767
    21  H   -0.272158  -0.000003  -0.000001  -0.000134   0.000001  -0.067293
    22  H   -0.039680   0.000093   0.000001   0.000003  -0.000003   0.000094
    23  H   -0.005690  -0.000133   0.000001  -0.000003  -0.000001   0.000002
    24  H   -0.004880  -0.001749   0.000622   0.000093  -0.000133   0.000003
    25  H    0.006346   0.000624   0.000046   0.000001   0.000001  -0.000003
    26  H    0.008687   0.031067  -0.000677   0.000795   0.000639  -0.000077
    27  H   -0.012877   0.003987  -0.000129   0.000441  -0.000004   0.000035
    28  H   -0.083465  -0.000239   0.000002  -0.000077  -0.000005   0.000800
    29  H   -0.006117   0.000616  -0.000222   0.000033  -0.000036   0.000441
    30  H   -0.791502  -0.000077  -0.000005  -0.000239   0.000002  -0.004827
    31  H   -0.186255   0.000034  -0.000036   0.000617  -0.000223   0.006497
    32  H    0.045248   0.000801   0.000639   0.031354  -0.000687  -0.016265
    33  H   -0.013099   0.000443  -0.000003   0.004014  -0.000130   0.023737
    34  H   -0.022818  -0.004842  -0.009832  -0.016229   0.110526   0.031180
    35  H   -0.014247   0.006499  -0.000762   0.023719  -0.023707   0.003997
    36  H    0.002029  -0.016295   0.110345  -0.004853  -0.009812  -0.000239
    37  H   -0.002588   0.023805  -0.023907   0.006555  -0.000744   0.000621
              19         20         21         22         23         24
     1  C    0.000001  -0.000340   0.000045   0.003107  -0.015973   0.172279
     2  C    0.000001   0.003134  -0.000278   0.171569   0.355209   0.002849
     3  N    0.006339  -0.039630  -0.005699  -0.080237  -0.272383  -0.057251
     4  Rh   0.057618   0.058206   0.057705   0.058115   0.057958   0.058045
     5  N    0.000682   0.003365   0.001108  -0.057163   0.050755  -0.080641
     6  N   -0.005711  -0.004849   0.006323   0.000201   0.000685   0.003354
     7  C   -0.000280   0.000161   0.000001   0.000006   0.000001  -0.000334
     8  C    0.000044   0.000006   0.000001   0.000161   0.000001   0.003111
     9  N    0.001103   0.000199   0.000682  -0.004827   0.006296  -0.039349
    10  N   -0.271881  -0.057391   0.050948   0.003359   0.001111   0.000196
    11  C    0.354893   0.003133  -0.015972  -0.000340   0.000045   0.000005
    12  C   -0.015759   0.171617   0.355219   0.003134  -0.000278   0.000161
    13  N    0.050928  -0.080059  -0.272158  -0.039680  -0.005690  -0.004880
    14  H    0.000002   0.000003  -0.000003   0.000093  -0.000133  -0.001749
    15  H    0.000001  -0.000003  -0.000001   0.000001   0.000001   0.000622
    16  H    0.000633   0.000094  -0.000134   0.000003  -0.000003   0.000093
    17  H    0.000046   0.000001   0.000001  -0.000003  -0.000001  -0.000133
    18  H   -0.273641   0.071767  -0.067293   0.000094   0.000002   0.000003
    19  H    1.384473  -0.067276   0.001636  -0.000135   0.000001  -0.000003
    20  H   -0.067276   1.223271  -0.273888  -0.001797   0.000632   0.000094
    21  H    0.001636  -0.273888   1.385470   0.000633   0.000046   0.000002
    22  H   -0.000135  -0.001797   0.000633   1.223490  -0.273825   0.071811
    23  H    0.000001   0.000632   0.000046  -0.273825   1.385490  -0.067342
    24  H   -0.000003   0.000094   0.000002   0.071811  -0.067342   1.223657
    25  H   -0.000001  -0.000135   0.000001  -0.067441   0.001767  -0.273510
    26  H   -0.000005  -0.000239   0.000002  -0.004869  -0.009811  -0.016232
    27  H   -0.000036   0.000622  -0.000225   0.006571  -0.000765   0.023793
    28  H    0.000638   0.031326  -0.000689  -0.016181   0.110534  -0.004834
    29  H   -0.000002   0.004024  -0.000131   0.023709  -0.023726   0.006523
    30  H   -0.009835  -0.016246   0.110508   0.031354  -0.000694   0.000801
    31  H   -0.000761   0.023661  -0.023779   0.004022  -0.000130   0.000442
    32  H    0.110521  -0.004842  -0.009834  -0.000239   0.000002  -0.000077
    33  H   -0.023859   0.006551  -0.000769   0.000620  -0.000224   0.000034
    34  H   -0.000670   0.000796   0.000639  -0.000077  -0.000005  -0.000238
    35  H   -0.000129   0.000440  -0.000002   0.000034  -0.000036   0.000618
    36  H    0.000002  -0.000077  -0.000005   0.000794   0.000634   0.030980
    37  H   -0.000223   0.000035  -0.000036   0.000439  -0.000004   0.003980
              25         26         27         28         29         30
     1  C    0.354650   0.122510   0.045416  -0.015863  -0.025315   0.001739
     2  C   -0.015648  -0.015872  -0.025272   0.122710   0.045277   0.008207
     3  N    0.050918   0.045248  -0.013112  -0.792428  -0.186556  -0.083443
     4  Rh   0.057517   0.250531   0.140350   0.251288   0.140420   0.250750
     5  N   -0.271224  -0.790855  -0.185768   0.045210  -0.012929  -0.022845
     6  N    0.001099  -0.023156  -0.014218   0.002057  -0.002575   0.008724
     7  C    0.000044   0.001761   0.000318   0.000159   0.000273  -0.000039
     8  C   -0.000281   0.008149  -0.003678  -0.000040   0.001070   0.000157
     9  N   -0.005683  -0.083201  -0.006119   0.008686  -0.012902   0.002033
    10  N    0.000683   0.002030  -0.002595  -0.022758  -0.014325   0.045252
    11  C    0.000001   0.000155   0.000272   0.001745   0.000317  -0.015864
    12  C    0.000001  -0.000035   0.001074   0.008196  -0.003710   0.122762
    13  N    0.006346   0.008687  -0.012877  -0.083465  -0.006117  -0.791502
    14  H    0.000624   0.031067   0.003987  -0.000239   0.000616  -0.000077
    15  H    0.000046  -0.000677  -0.000129   0.000002  -0.000222  -0.000005
    16  H    0.000001   0.000795   0.000441  -0.000077   0.000033  -0.000239
    17  H    0.000001   0.000639  -0.000004  -0.000005  -0.000036   0.000002
    18  H   -0.000003  -0.000077   0.000035   0.000800   0.000441  -0.004827
    19  H   -0.000001  -0.000005  -0.000036   0.000638  -0.000002  -0.009835
    20  H   -0.000135  -0.000239   0.000622   0.031326   0.004024  -0.016246
    21  H    0.000001   0.000002  -0.000225  -0.000689  -0.000131   0.110508
    22  H   -0.067441  -0.004869   0.006571  -0.016181   0.023709   0.031354
    23  H    0.001767  -0.009811  -0.000765   0.110534  -0.023726  -0.000694
    24  H   -0.273510  -0.016232   0.023793  -0.004834   0.006523   0.000801
    25  H    1.383998   0.110293  -0.023909  -0.009831  -0.000789   0.000639
    26  H    0.110293   1.049654  -0.045012  -0.005864   0.000799   0.001438
    27  H   -0.023909  -0.045012   0.693558   0.000811   0.004265   0.015086
    28  H   -0.009831  -0.005864   0.000811   1.050180  -0.044992   0.035107
    29  H   -0.000789   0.000799   0.004265  -0.044992   0.695256   0.003128
    30  H    0.000639   0.001438   0.015086   0.035107   0.003128   1.049951
    31  H   -0.000002   0.002348  -0.001992   0.003125  -0.000596  -0.045311
    32  H   -0.000005   0.000108  -0.000017   0.001436   0.002344  -0.005867
    33  H   -0.000036  -0.000017   0.000237   0.015079  -0.001978   0.000811
    34  H    0.000002   0.001454   0.002339   0.000105  -0.000017   0.001432
    35  H   -0.000222   0.015212  -0.001951  -0.000017   0.000237   0.002348
    36  H   -0.000668   0.035110   0.003117   0.001441   0.015142   0.000107
    37  H   -0.000129   0.003107  -0.000590   0.002331  -0.001985  -0.000016
              31         32         33         34         35         36
     1  C    0.000319   0.000156   0.000271  -0.000039   0.001082   0.008143
     2  C   -0.003713  -0.000038   0.001072   0.000159   0.000275   0.001728
     3  N   -0.006107   0.008739  -0.012831   0.002057  -0.002573  -0.023002
     4  Rh   0.140452   0.250908   0.140681   0.251428   0.140448   0.250526
     5  N   -0.014319   0.002031  -0.002583   0.008677  -0.013157  -0.083273
     6  N   -0.012826  -0.083496  -0.006157  -0.792473  -0.185933   0.045169
     7  C    0.001066   0.008197  -0.003702   0.122649   0.045185  -0.015829
     8  C    0.000272   0.001751   0.000318  -0.015820  -0.025332   0.122386
     9  N   -0.002578  -0.023009  -0.014360   0.045173  -0.012950  -0.789779
    10  N   -0.013115  -0.792553  -0.186776  -0.083571  -0.006120   0.008682
    11  C   -0.025265   0.122675   0.045423   0.008186  -0.003687  -0.000038
    12  C    0.045325  -0.015832  -0.025233   0.001735   0.000324   0.000157
    13  N   -0.186255   0.045248  -0.013099  -0.022818  -0.014247   0.002029
    14  H    0.000034   0.000801   0.000443  -0.004842   0.006499  -0.016295
    15  H   -0.000036   0.000639  -0.000003  -0.009832  -0.000762   0.110345
    16  H    0.000617   0.031354   0.004014  -0.016229   0.023719  -0.004853
    17  H   -0.000223  -0.000687  -0.000130   0.110526  -0.023707  -0.009812
    18  H    0.006497  -0.016265   0.023737   0.031180   0.003997  -0.000239
    19  H   -0.000761   0.110521  -0.023859  -0.000670  -0.000129   0.000002
    20  H    0.023661  -0.004842   0.006551   0.000796   0.000440  -0.000077
    21  H   -0.023779  -0.009834  -0.000769   0.000639  -0.000002  -0.000005
    22  H    0.004022  -0.000239   0.000620  -0.000077   0.000034   0.000794
    23  H   -0.000130   0.000002  -0.000224  -0.000005  -0.000036   0.000634
    24  H    0.000442  -0.000077   0.000034  -0.000238   0.000618   0.030980
    25  H   -0.000002  -0.000005  -0.000036   0.000002  -0.000222  -0.000668
    26  H    0.002348   0.000108  -0.000017   0.001454   0.015212   0.035110
    27  H   -0.001992  -0.000017   0.000237   0.002339  -0.001951   0.003117
    28  H    0.003125   0.001436   0.015079   0.000105  -0.000017   0.001441
    29  H   -0.000596   0.002344  -0.001978  -0.000017   0.000237   0.015142
    30  H   -0.045311  -0.005867   0.000811   0.001432   0.002348   0.000107
    31  H    0.695254   0.000821   0.004275   0.015114  -0.001993  -0.000016
    32  H    0.000821   1.050679  -0.045061   0.035168   0.003119   0.001444
    33  H    0.004275  -0.045061   0.694458   0.003129  -0.000592   0.002354
    34  H    0.015114   0.035168   0.003129   1.050644  -0.045108  -0.005861
    35  H   -0.001993   0.003119  -0.000592  -0.045108   0.694742   0.000811
    36  H   -0.000016   0.001444   0.002354  -0.005861   0.000811   1.049504
    37  H    0.000238   0.015176  -0.001945   0.000819   0.004253  -0.045343
              37
     1  C   -0.003673
     2  C    0.000320
     3  N   -0.014125
     4  Rh   0.140215
     5  N   -0.006090
     6  N   -0.013102
     7  C   -0.025312
     8  C    0.045245
     9  N   -0.184809
    10  N   -0.013150
    11  C    0.001081
    12  C    0.000275
    13  N   -0.002588
    14  H    0.023805
    15  H   -0.023907
    16  H    0.006555
    17  H   -0.000744
    18  H    0.000621
    19  H   -0.000223
    20  H    0.000035
    21  H   -0.000036
    22  H    0.000439
    23  H   -0.000004
    24  H    0.003980
    25  H   -0.000129
    26  H    0.003107
    27  H   -0.000590
    28  H    0.002331
    29  H   -0.001985
    30  H   -0.000016
    31  H    0.000238
    32  H    0.015176
    33  H   -0.001945
    34  H    0.000819
    35  H    0.004253
    36  H   -0.045343
    37  H    0.693709
 Mulliken charges:
               1
     1  C    0.932119
     2  C    0.931433
     3  N   -1.116209
     4  Rh   2.051475
     5  N   -1.118917
     6  N   -1.116074
     7  C    0.931540
     8  C    0.931786
     9  N   -1.117288
    10  N   -1.118276
    11  C    0.932175
    12  C    0.931451
    13  N   -1.116615
    14  H   -0.056673
    15  H   -0.299521
    16  H   -0.056669
    17  H   -0.300063
    18  H   -0.056740
    19  H   -0.299356
    20  H   -0.056365
    21  H   -0.300076
    22  H   -0.056508
    23  H   -0.300148
    24  H   -0.056880
    25  H   -0.299116
    26  H    0.304823
    27  H    0.395978
    28  H    0.304314
    29  H    0.395026
    30  H    0.304473
    31  H    0.395134
    32  H    0.304507
    33  H    0.395845
    34  H    0.304185
    35  H    0.395179
    36  H    0.304483
    37  H    0.395567
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.576123
     2  C    0.574777
     3  N   -0.416869
     4  Rh   2.051475
     5  N   -0.418115
     6  N   -0.416709
     7  C    0.574809
     8  C    0.575592
     9  N   -0.417239
    10  N   -0.417924
    11  C    0.576079
    12  C    0.575010
    13  N   -0.417009
 Electronic spatial extent (au):  <R**2>=           2784.6057
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0004    Y=              0.0008    Z=             -0.0002  Tot=              0.0009
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.1391   YY=            -31.1791   ZZ=            -54.6398
   XY=             -0.0020   XZ=             -0.0034   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8469   YY=              7.8069   ZZ=            -15.6538
   XY=             -0.0020   XZ=             -0.0034   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.5696  YYY=             33.4402  ZZZ=             -0.0018  XYY=            -13.5660
  XXY=            -33.4805  XXZ=             -0.0083  XZZ=              0.0189  YZZ=             -0.0191
  YYZ=              0.0022  XYZ=             -0.0014
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1028.3466 YYYY=          -1027.4613 ZZZZ=           -332.0246 XXXY=             -0.0107
 XXXZ=             32.7055 YYYX=              0.0096 YYYZ=            -13.2660 ZZZX=              0.0092
 ZZZY=              0.0377 XXYY=           -342.6394 XXZZ=           -230.5496 YYZZ=           -230.4318
 XXYZ=             13.2672 YYXZ=            -32.7351 ZZXY=             -0.0183
 N-N= 1.198454714059D+03 E-N=-3.901684771817D+03  KE= 6.045235399259D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 15:19:20 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0022    0.0001       -0.0038   -0.0018
 2      0.0022   -0.0001       -0.0036   -0.0020       -0.0283   -0.0268
 3      0.0038    0.0018       17.9876   17.9837        0.0012    0.0020
 4      0.0036    0.0020        0.0000    0.0000       -0.0016    0.0018
 5    -17.9593  -17.9569        0.0016   -0.0018       -0.0002    0.0001
 6     -0.0012   -0.0020        0.0002   -0.0001        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0002   -0.0002       -0.0054   -0.0054
 2      0.0060    0.0060        0.0000    0.0000       -0.0054   -0.0054
 3      0.0060    0.0060       -0.0002   -0.0002       -0.0000    0.0000
 4     -0.0002   -0.0002       -0.0060   -0.0060       -0.0804   -0.0804
 5      0.0054    0.0054       53.9511   53.9511        0.0060    0.0060
 6    -53.8707  -53.8707       -0.0054   -0.0054        0.0002    0.0002
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1396    0.0000        0.0772   -0.0002        0.0345    0.0071
 2     -0.0381    0.0002        0.1347    0.0080        0.0889    0.1072
 3      0.0258   -0.0071      -71.8778  -71.9348       -0.0475   -0.0080
 4     -0.0958   -0.0080        0.0689    0.0000        0.1373   -0.0071
 5     71.8464   71.8276       -0.0657    0.0071       -0.0280   -0.0002
 6     -0.0326    0.0080        0.0439    0.0002        0.0299    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5428    0.0000        0.0420    0.0210       -0.5544    0.0324
 2     -0.3419   -0.0210        0.3078   -0.0068       -0.5612    0.0778
 3     -0.4244   -0.0324      -15.7608  -15.7478        1.0591    0.0068
 4     -0.1032    0.0068       -0.0309    0.0000        0.4556   -0.0324
 5     15.1947   15.6700        0.1701    0.0324        0.0995    0.0210
 6     -0.1352   -0.0068       -0.0302   -0.0210       -0.0559    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.2636  -34.1711       84.1530   84.1886       -0.0378   -0.0123
 2    -34.2566  -34.1770       84.1858   84.2099       -0.0196   -0.0123
 3    -34.2628  -34.1770       84.1679   84.1886        0.0371   -0.0189
 4      0.0596   -0.0212       -0.1520    0.0059       -0.0294    0.0131
 5      0.0319   -0.0066      -32.9587  -32.9981        0.1273   -0.0059
 6     32.8479   32.9850        0.0741    0.0066        0.1529    0.0212
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      1.0318                 1.0376                 0.0020
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7214
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8381
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1474                 0.1482                 0.0003
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1050                 0.1051                 0.0027
 Delta2 Fr= 1--     -0.0435                -0.0457                 0.0004
 Raman1 Fr= 1--       4.127                  4.150                  0.008
 ROA1   Fr= 1--       8.691                  8.627                  0.272
 CID1   Fr= 1--       2.106                  2.079                 33.788
 Raman2 Fr= 1--       1.769                  1.779                  0.003
 ROA2   Fr= 1--       2.869                  2.887                  0.062
 CID2   Fr= 1--       1.622                  1.623                 18.305
 Raman3 Fr= 1--       3.538                  3.558                  0.007
 ROA3   Fr= 1--       8.691                  8.627                  0.272
 CID3   Fr= 1--       2.457                  2.425                 40.313
 RC180  Fr= 1--       0.714                  0.714                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.2173                 0.2064                 2.0685
  Dep-P Fr= 1--      0.7490                 0.7498                 0.7418
  Dep-U Fr= 1--      0.8565                 0.8570                 0.8518
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0310                 0.0295                 0.2937
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0057
 Gamma2 Fr= 1--      0.9027                 0.8892                -2.9995
 Delta2 Fr= 1--      0.2303                 0.2280                -1.1366
 Raman1 Fr= 1--       0.869                  0.826                  8.274
 ROA1   Fr= 1--      94.026                 92.655               -324.317
 CID1   Fr= 1--     108.177                112.222                -39.197
 Raman2 Fr= 1--       0.372                  0.354                  3.524
 ROA2   Fr= 1--      19.821                 19.516                -62.894
 CID2   Fr= 1--      53.250                 55.164                -17.848
 Raman3 Fr= 1--       0.744                  0.708                  7.048
 ROA3   Fr= 1--      94.026                 92.655               -324.317
 CID3   Fr= 1--     126.300                130.948                -46.017
 RC180  Fr= 1--       0.713                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.8475                 2.8925                 0.0728
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7336
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8464
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4068                 0.4130                 0.0103
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -1.1377                -1.2067                -0.0235
 Delta2 Fr= 1--     -0.1110                -0.1131                -0.0019
 Raman1 Fr= 1--      11.390                 11.570                  0.291
 ROA1   Fr= 1--    -112.770               -119.465                 -2.321
 CID1   Fr= 1--      -9.901                -10.325                 -7.972
 Raman2 Fr= 1--       4.881                  4.957                  0.123
 ROA2   Fr= 1--     -26.416                -28.056                 -0.550
 CID2   Fr= 1--      -5.412                 -5.660                 -4.466
 Raman3 Fr= 1--       9.763                  9.913                  0.246
 ROA3   Fr= 1--    -112.770               -119.465                 -2.321
 CID3   Fr= 1--     -11.551                -12.051                 -9.419
 RC180  Fr= 1--       0.714                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     17.8821                 0.4142                 0.3936
  Dep-P Fr= 1--      0.0997                 0.7482                 0.7392
  Dep-U Fr= 1--      0.1813                 0.8560                 0.8500
 Alpha2 Fr= 1--      0.3133                 0.0000                 0.0001
 Beta2  Fr= 1--      0.5403                 0.0591                 0.0558
 AlphaG Fr= 1--     -0.0092                 0.0000                 0.0001
 Gamma2 Fr= 1--      4.5249                -0.7340                -0.6287
 Delta2 Fr= 1--      0.5562                 0.0052                 0.0033
 Raman1 Fr= 1--      71.528                  1.657                  1.574
 ROA1   Fr= 1--     452.190                -70.299                -60.250
 CID1   Fr= 1--       6.322                -42.429                -38.268
 Raman2 Fr= 1--       6.484                  0.709                  0.669
 ROA2   Fr= 1--     104.149                -17.658                -15.115
 CID2   Fr= 1--      16.062                -24.901                -22.589
 Raman3 Fr= 1--      12.968                  1.418                  1.338
 ROA3   Fr= 1--     452.190                -70.299                -60.250
 CID3   Fr= 1--      34.869                -49.566                -45.019
 RC180  Fr= 1--      -0.637                  0.712                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      2.8966                 3.6289                 3.6547
  Dep-P Fr= 1--      0.0408                 0.7496                 0.7491
  Dep-U Fr= 1--      0.0784                 0.8569                 0.8566
 Alpha2 Fr= 1--      0.0585                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0378                 0.5183                 0.5217
 AlphaG Fr= 1--      0.1147                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.9412                -1.0922                -1.0498
 Delta2 Fr= 1--     -0.1344                -0.1063                -0.1052
 Raman1 Fr= 1--      11.586                 14.516                 14.619
 ROA1   Fr= 1--      86.058               -108.250               -104.149
 CID1   Fr= 1--       7.427                 -7.457                 -7.124
 Raman2 Fr= 1--       0.454                  6.219                  6.261
 ROA2   Fr= 1--      23.665                -25.362                -24.353
 CID2   Fr= 1--      52.107                 -4.078                 -3.890
 Raman3 Fr= 1--       0.908                 12.438                 12.522
 ROA3   Fr= 1--      86.058               -108.250               -104.149
 CID3   Fr= 1--      94.744                 -8.703                 -8.317
 RC180  Fr= 1--      -0.843                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0420                 5.2832                 5.3296
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0060                 0.7547                 0.7613
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0160                -1.8681                -1.8441
 Delta2 Fr= 1--     -0.0022                -0.2436                -0.2407
 Raman1 Fr= 1--       0.168                 21.133                 21.318
 ROA1   Fr= 1--      -1.609               -187.135               -184.739
 CID1   Fr= 1--      -9.581                 -8.855                 -8.666
 Raman2 Fr= 1--       0.072                  9.057                  9.135
 ROA2   Fr= 1--      -0.367                -42.886                -42.333
 CID2   Fr= 1--      -5.093                 -4.735                 -4.634
 Raman3 Fr= 1--       0.144                 18.113                 18.271
 ROA3   Fr= 1--      -1.609               -187.135               -184.739
 CID3   Fr= 1--     -11.179                -10.331                -10.111
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      4.8880                 4.9472                51.9052
  Dep-P Fr= 1--      0.7493                 0.7500                 0.0031
  Dep-U Fr= 1--      0.8567                 0.8571                 0.0063
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.1450
 Beta2  Fr= 1--      0.6979                 0.7067                 0.0542
 AlphaG Fr= 1--      0.0000                 0.0000                 0.7459
 Gamma2 Fr= 1--      0.7494                 0.7710                -0.7498
 Delta2 Fr= 1--     -0.1003                -0.0995                -0.0123
 Raman1 Fr= 1--      19.552                 19.789                207.621
 ROA1   Fr= 1--      68.732                 70.828                -72.380
 CID1   Fr= 1--       3.515                  3.579                 -0.349
 Raman2 Fr= 1--       8.375                  8.481                  0.651
 ROA2   Fr= 1--      18.788                 19.299                -17.898
 CID2   Fr= 1--       2.243                  2.276                -27.501
 Raman3 Fr= 1--      16.750                 16.961                  1.302
 ROA3   Fr= 1--      68.732                 70.828                -72.380
 CID3   Fr= 1--       4.103                  4.176                -55.609
 RC180  Fr= 1--       0.713                  0.714                 -0.987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.2706                 0.2765                 0.0002
  Dep-P Fr= 1--      0.7497                 0.7114                 0.1175
  Dep-U Fr= 1--      0.8569                 0.8314                 0.2103
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0386                 0.0383                 0.0000
 AlphaG Fr= 1--      0.0000                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.5882                 0.5891                -0.0001
 Delta2 Fr= 1--      0.3889                 0.3881                -0.0000
 Raman1 Fr= 1--       1.082                  1.106                  0.001
 ROA1   Fr= 1--      68.913                 68.978                 -0.006
 CID1   Fr= 1--      63.672                 62.356                 -7.281
 Raman2 Fr= 1--       0.464                  0.460                  0.000
 ROA2   Fr= 1--      11.006                 11.034                 -0.001
 CID2   Fr= 1--      23.733                 23.996                -16.713
 Raman3 Fr= 1--       0.927                  0.920                  0.000
 ROA3   Fr= 1--      68.913                 68.978                 -0.006
 CID3   Fr= 1--      74.302                 75.002                -34.615
 RC180  Fr= 1--       0.714                  0.663                 -0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      0.9549                 0.9551                 0.0018
  Dep-P Fr= 1--      0.7497                 0.7500                 0.2552
  Dep-U Fr= 1--      0.8570                 0.8571                 0.4066
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1364                 0.1364                 0.0001
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      4.2625                 4.2474                 0.0006
 Delta2 Fr= 1--      0.0508                 0.0492                 0.0001
 Raman1 Fr= 1--       3.820                  3.820                  0.007
 ROA1   Fr= 1--     410.827                409.326                  0.066
 CID1   Fr= 1--     107.553                107.143                  9.326
 Raman2 Fr= 1--       1.637                  1.637                  0.001
 ROA2   Fr= 1--     101.894                101.544                  0.015
 CID2   Fr= 1--      62.256                 62.020                 10.251
 Raman3 Fr= 1--       3.273                  3.275                  0.003
 ROA3   Fr= 1--     410.827                409.326                  0.066
 CID3   Fr= 1--     125.505                125.001                 22.938
 RC180  Fr= 1--       0.714                  0.714                 -0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      2.2414                 0.9090                 0.8979
  Dep-P Fr= 1--      0.1259                 0.7500                 0.7494
  Dep-U Fr= 1--      0.2236                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0368                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0835                 0.1299                 0.1282
 AlphaG Fr= 1--     -0.3741                -0.0000                 0.0000
 Gamma2 Fr= 1--     -3.2779                -2.0647                -2.0303
 Delta2 Fr= 1--      0.4764                -0.0397                -0.0371
 Raman1 Fr= 1--       8.966                  3.636                  3.592
 ROA1   Fr= 1--    -299.429               -199.480               -196.097
 CID1   Fr= 1--     -33.398                -54.865                -54.599
 Raman2 Fr= 1--       1.003                  1.558                  1.539
 ROA2   Fr= 1--     -82.480                -49.234                -48.430
 CID2   Fr= 1--     -82.270                -31.596                -31.477
 Raman3 Fr= 1--       2.005                  3.116                  3.077
 ROA3   Fr= 1--    -299.429               -199.480               -196.097
 CID3   Fr= 1--    -149.333                -64.009                -63.726
 RC180  Fr= 1--      -0.553                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.9103                 0.9646                 6.7971
  Dep-P Fr= 1--      0.7429                 0.7338                 0.0366
  Dep-U Fr= 1--      0.8525                 0.8465                 0.0706
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1386
 Beta2  Fr= 1--      0.1293                 0.1361                 0.0800
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0015
 Gamma2 Fr= 1--      2.8158                 2.9835                -3.1689
 Delta2 Fr= 1--      1.7921                 1.8096                -1.9477
 Raman1 Fr= 1--       3.641                  3.858                 27.188
 ROA1   Fr= 1--     327.666                344.322               -366.542
 CID1   Fr= 1--      89.985                 89.243                -13.482
 Raman2 Fr= 1--       1.552                  1.633                  0.960
 ROA2   Fr= 1--      53.244                 57.126                -60.472
 CID2   Fr= 1--      34.305                 34.983                -63.023
 Raman3 Fr= 1--       3.104                  3.266                  1.919
 ROA3   Fr= 1--     327.666                344.322               -366.542
 CID3   Fr= 1--     105.559                105.428               -191.004
 RC180  Fr= 1--       0.705                  0.693                 -0.859
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.2450                 3.1944                 0.0012
  Dep-P Fr= 1--      0.6795                 0.7463                 0.4968
  Dep-U Fr= 1--      0.8092                 0.8547                 0.6639
 Alpha2 Fr= 1--      0.0040                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4376                 0.4550                 0.0001
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.6268                -0.3540                 0.0004
 Delta2 Fr= 1--     -0.9050                -0.8488                -0.0001
 Raman1 Fr= 1--      12.980                 12.778                  0.005
 ROA1   Fr= 1--     -89.131                -61.143                  0.037
 CID1   Fr= 1--      -6.867                 -4.785                  7.572
 Raman2 Fr= 1--       5.252                  5.460                  0.002
 ROA2   Fr= 1--      -7.802                 -1.705                  0.011
 CID2   Fr= 1--      -1.486                 -0.312                  7.060
 Raman3 Fr= 1--      10.503                 10.921                  0.003
 ROA3   Fr= 1--     -89.131                -61.143                  0.037
 CID3   Fr= 1--      -8.486                 -5.599                 11.407
 RC180  Fr= 1--       0.618                  0.709                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0113                 4.7343                 4.7392
  Dep-P Fr= 1--      0.7482                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8559                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0016                 0.6763                 0.6770
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0021                 0.9717                 0.9805
 Delta2 Fr= 1--     -0.0036                -1.5580                -1.5523
 Raman1 Fr= 1--       0.045                 18.937                 18.957
 ROA1   Fr= 1--       0.087                 43.424                 44.452
 CID1   Fr= 1--       1.920                  2.293                  2.345
 Raman2 Fr= 1--       0.019                  8.116                  8.124
 ROA2   Fr= 1--       0.080                 35.784                 35.950
 CID2   Fr= 1--       4.113                  4.409                  4.425
 Raman3 Fr= 1--       0.039                 16.232                 16.249
 ROA3   Fr= 1--       0.087                 43.424                 44.452
 CID3   Fr= 1--       2.244                  2.675                  2.736
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.2268                 0.2327                 1.2834
  Dep-P Fr= 1--      0.7434                 0.7470                 0.0726
  Dep-U Fr= 1--      0.8528                 0.8552                 0.1354
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0240
 Beta2  Fr= 1--      0.0322                 0.0332                 0.0290
 AlphaG Fr= 1--      0.0002                 0.0001                 0.2037
 Gamma2 Fr= 1--      1.1592                 1.1677                -0.6986
 Delta2 Fr= 1--     -0.1712                -0.1779                -0.1987
 Raman1 Fr= 1--       0.907                  0.931                  5.133
 ROA1   Fr= 1--     105.807                106.411                -73.422
 CID1   Fr= 1--     116.646                114.302                -14.303
 Raman2 Fr= 1--       0.387                  0.398                  0.348
 ROA2   Fr= 1--      29.191                 29.448                -15.177
 CID2   Fr= 1--      75.469                 73.979                -43.656
 Raman3 Fr= 1--       0.774                  0.796                  0.695
 ROA3   Fr= 1--     105.807                106.411                -73.422
 CID3   Fr= 1--     136.773                133.660               -105.600
 RC180  Fr= 1--       0.706                  0.710                 -0.729
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      2.0979                 1.2718                 1.1408
  Dep-P Fr= 1--      0.3392                 0.4168                 0.4412
  Dep-U Fr= 1--      0.5065                 0.5883                 0.6123
 Alpha2 Fr= 1--      0.0191                 0.0089                 0.0072
 Beta2  Fr= 1--      0.1771                 0.1247                 0.1164
 AlphaG Fr= 1--      0.0420                 0.0195                 0.0157
 Gamma2 Fr= 1--     -1.8624                -1.7002                -1.6849
 Delta2 Fr= 1--     -1.2296                -1.5392                -1.5818
 Raman1 Fr= 1--       8.391                  5.087                  4.563
 ROA1   Fr= 1--    -218.138               -212.474               -212.368
 CID1   Fr= 1--     -25.995                -41.767                -46.541
 Raman2 Fr= 1--       2.125                  1.496                  1.397
 ROA2   Fr= 1--     -34.861                -28.491                -27.784
 CID2   Fr= 1--     -16.404                -19.039                -19.889
 Raman3 Fr= 1--       4.250                  2.993                  2.794
 ROA3   Fr= 1--    -218.138               -212.474               -212.368
 CID3   Fr= 1--     -51.322                -70.993                -76.011
 RC180  Fr= 1--       0.013                  0.177                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.9157                 0.8875                 0.0005
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7411
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8513
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1308                 0.1268                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.9905                 0.9910                -0.0001
 Delta2 Fr= 1--      0.2951                 0.2844                 0.0001
 Raman1 Fr= 1--       3.663                  3.550                  0.002
 ROA1   Fr= 1--     104.527                104.234                 -0.004
 CID1   Fr= 1--      28.537                 29.363                 -1.796
 Raman2 Fr= 1--       1.570                  1.521                  0.001
 ROA2   Fr= 1--      21.411                 21.509                 -0.002
 CID2   Fr= 1--      13.640                 14.139                 -2.719
 Raman3 Fr= 1--       3.139                  3.042                  0.002
 ROA3   Fr= 1--     104.527                104.234                 -0.004
 CID3   Fr= 1--      33.295                 34.260                 -2.110
 RC180  Fr= 1--       0.714                  0.714                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      8.3290                 8.2812                11.9702
  Dep-P Fr= 1--      0.7500                 0.7498                 0.3512
  Dep-U Fr= 1--      0.8571                 0.8570                 0.5198
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1047
 Beta2  Fr= 1--      1.1899                 1.1829                 1.0370
 AlphaG Fr= 1--      0.0000                 0.0001                 0.3153
 Gamma2 Fr= 1--     -2.9361                -2.8626                -2.8657
 Delta2 Fr= 1--      3.0642                 3.0914                -6.0979
 Raman1 Fr= 1--      33.316                 33.125                 47.881
 ROA1   Fr= 1--    -183.815               -175.887               -470.246
 CID1   Fr= 1--      -5.517                 -5.310                 -9.821
 Raman2 Fr= 1--      14.278                 14.195                 12.444
 ROA2   Fr= 1--     -94.981                -93.434                -19.994
 CID2   Fr= 1--      -6.652                 -6.582                 -1.607
 Raman3 Fr= 1--      28.556                 28.389                 24.888
 ROA3   Fr= 1--    -183.815               -175.887               -470.246
 CID3   Fr= 1--      -6.437                 -6.196                -18.895
 RC180  Fr= 1--       0.714                  0.714                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      7.3144                 7.2488                 0.0026
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7489
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0449                 1.0355                 0.0004
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--      5.0045                 5.0680                 0.0001
 Delta2 Fr= 1--      0.0263                 0.0667                -0.0005
 Raman1 Fr= 1--      29.258                 28.995                  0.010
 ROA1   Fr= 1--     481.270                488.663                 -0.003
 CID1   Fr= 1--      16.449                 16.853                 -0.275
 Raman2 Fr= 1--      12.538                 12.427                  0.004
 ROA2   Fr= 1--     119.897                121.098                  0.007
 CID2   Fr= 1--       9.562                  9.745                  1.624
 Raman3 Fr= 1--      25.076                 24.853                  0.009
 ROA3   Fr= 1--     481.270                488.663                 -0.003
 CID3   Fr= 1--      19.192                 19.662                 -0.321
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.6126                 0.6089                 9.7725
  Dep-P Fr= 1--      0.7490                 0.7499                 0.2392
  Dep-U Fr= 1--      0.8565                 0.8571                 0.3861
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1193
 Beta2  Fr= 1--      0.0874                 0.0870                 0.6288
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0164
 Gamma2 Fr= 1--      0.2033                 0.1963                -1.9917
 Delta2 Fr= 1--     -0.0051                -0.0059                 0.1779
 Raman1 Fr= 1--       2.450                  2.435                 39.090
 ROA1   Fr= 1--      19.358                 18.658               -185.511
 CID1   Fr= 1--       7.900                  7.661                 -4.746
 Raman2 Fr= 1--       1.049                  1.044                  7.546
 ROA2   Fr= 1--       4.921                  4.758                -49.224
 CID2   Fr= 1--       4.690                  4.559                 -6.523
 Raman3 Fr= 1--       2.099                  2.087                 15.092
 ROA3   Fr= 1--      19.358                 18.658               -185.511
 CID3   Fr= 1--       9.224                  8.939                -12.292
 RC180  Fr= 1--       0.713                  0.714                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      0.8915                 0.9221                 4.6973
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2574
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4094
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0545
 Beta2  Fr= 1--      0.1274                 0.1317                 0.3205
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0574
 Gamma2 Fr= 1--      4.3893                 4.4224                -0.0746
 Delta2 Fr= 1--      2.0684                 2.0892                 0.7674
 Raman1 Fr= 1--       3.566                  3.688                 18.789
 ROA1   Fr= 1--     487.563                491.406                 17.396
 CID1   Fr= 1--     136.720                133.227                  0.926
 Raman2 Fr= 1--       1.528                  1.581                  3.846
 ROA2   Fr= 1--      88.796                 89.424                 -7.929
 CID2   Fr= 1--      58.099                 56.570                 -2.062
 Raman3 Fr= 1--       3.057                  3.162                  7.692
 ROA3   Fr= 1--     487.563                491.406                 17.396
 CID3   Fr= 1--     159.506                155.433                  2.262
 RC180  Fr= 1--       0.714                  0.714                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     14.6762                14.7518                 0.0037
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7497
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.0966                 2.1074                 0.0005
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -9.9192                -9.7988                -0.0027
 Delta2 Fr= 1--     -0.3622                -0.3278                -0.0001
 Raman1 Fr= 1--      58.705                 59.007                  0.015
 ROA1   Fr= 1--    -963.837               -951.178                 -0.259
 CID1   Fr= 1--     -16.418                -16.120                -17.312
 Raman2 Fr= 1--      25.159                 25.288                  0.006
 ROA2   Fr= 1--    -235.165               -232.550                 -0.063
 CID2   Fr= 1--      -9.347                 -9.196                 -9.813
 Raman3 Fr= 1--      50.318                 50.577                  0.013
 ROA3   Fr= 1--    -963.837               -951.178                 -0.259
 CID3   Fr= 1--     -19.155                -18.807                -20.203
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      2.6031                 2.6194                 0.0001
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7423
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8521
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3719                 0.3742                 0.0000
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      3.1821                 3.1926                 0.0000
 Delta2 Fr= 1--      1.6744                 1.6822                 0.0000
 Raman1 Fr= 1--      10.412                 10.478                  0.000
 ROA1   Fr= 1--     359.065                360.319                  0.005
 CID1   Fr= 1--      34.485                 34.390                 17.478
 Raman2 Fr= 1--       4.462                  4.490                  0.000
 ROA2   Fr= 1--      62.976                 63.165                  0.001
 CID2   Fr= 1--      14.113                 14.067                  8.093
 Raman3 Fr= 1--       8.925                  8.981                  0.000
 ROA3   Fr= 1--     359.065                360.319                  0.005
 CID3   Fr= 1--      40.233                 40.121                 20.512
 RC180  Fr= 1--       0.714                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.3568                 0.3588                 0.5281
  Dep-P Fr= 1--      0.7500                 0.7499                 0.5161
  Dep-U Fr= 1--      0.8571                 0.8571                 0.6809
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0024
 Beta2  Fr= 1--      0.0510                 0.0513                 0.0599
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0460
 Gamma2 Fr= 1--     -1.3573                -1.3848                 0.1356
 Delta2 Fr= 1--     -1.0317                -1.0412                -0.0419
 Raman1 Fr= 1--       1.427                  1.435                  2.112
 ROA1   Fr= 1--    -163.315               -166.257                 11.681
 CID1   Fr= 1--    -114.438               -115.827                  5.530
 Raman2 Fr= 1--       0.612                  0.615                  0.719
 ROA2   Fr= 1--     -24.321                -24.905                  3.590
 CID2   Fr= 1--     -39.766                -40.487                  4.993
 Raman3 Fr= 1--       1.223                  1.230                  1.438
 ROA3   Fr= 1--    -163.315               -166.257                 11.681
 CID3   Fr= 1--    -133.513               -135.140                  8.122
 RC180  Fr= 1--       0.714                  0.714                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--     10.2102                13.5241                 1.1826
  Dep-P Fr= 1--      0.7471                 0.6494                 0.6540
  Dep-U Fr= 1--      0.8553                 0.7874                 0.7908
 Alpha2 Fr= 1--      0.0005                 0.0244                 0.0020
 Beta2  Fr= 1--      1.4554                 1.7748                 0.1559
 AlphaG Fr= 1--     -0.0008                -0.0414                -0.0033
 Gamma2 Fr= 1--     -1.6398                -0.0190                 0.4048
 Delta2 Fr= 1--     -1.4150                -1.0037                 0.0459
 Raman1 Fr= 1--      40.841                 54.096                  4.730
 ROA1   Fr= 1--    -202.697                -33.941                 40.326
 CID1   Fr= 1--      -4.963                 -0.627                  8.525
 Raman2 Fr= 1--      17.465                 21.298                  1.870
 ROA2   Fr= 1--     -28.034                  7.574                  9.348
 CID2   Fr= 1--      -1.605                  0.356                  4.998
 Raman3 Fr= 1--      34.930                 42.596                  3.741
 ROA3   Fr= 1--    -202.697                -33.941                 40.326
 CID3   Fr= 1--      -5.803                 -0.797                 10.780
 RC180  Fr= 1--       0.711                  0.575                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     16.9588                 0.8393                 2.4568
  Dep-P Fr= 1--      0.3097                 0.6669                 0.6971
  Dep-U Fr= 1--      0.4730                 0.8002                 0.8215
 Alpha2 Fr= 1--      0.1689                 0.0012                 0.0023
 Beta2  Fr= 1--      1.3368                 0.1119                 0.3364
 AlphaG Fr= 1--     -0.2826                -0.0020                -0.0039
 Gamma2 Fr= 1--     -2.1009                 2.3646                 3.4511
 Delta2 Fr= 1--     -0.3589                 1.0292                 1.1617
 Raman1 Fr= 1--      67.835                  3.357                  9.827
 ROA1   Fr= 1--    -213.169                259.940                368.476
 CID1   Fr= 1--      -3.142                 77.429                 37.496
 Raman2 Fr= 1--      16.042                  1.343                  4.037
 ROA2   Fr= 1--     -47.550                 48.518                 73.531
 CID2   Fr= 1--      -2.964                 36.121                 18.216
 Raman3 Fr= 1--      32.084                  2.686                  8.073
 ROA3   Fr= 1--    -213.169                259.940                368.476
 CID3   Fr= 1--      -6.644                 96.762                 45.642
 RC180  Fr= 1--      -0.054                  0.600                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0019                 4.8095                 4.9017
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0003                 0.6871                 0.7002
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0032                 2.3196                 2.5758
 Delta2 Fr= 1--      0.0008                 3.9667                 4.0718
 Raman1 Fr= 1--       0.008                 19.238                 19.607
 ROA1   Fr= 1--       0.328                349.610                377.579
 CID1   Fr= 1--      43.619                 18.173                 19.257
 Raman2 Fr= 1--       0.003                  8.245                  8.402
 ROA2   Fr= 1--       0.069                 23.936                 29.245
 CID2   Fr= 1--      21.461                  2.903                  3.481
 Raman3 Fr= 1--       0.006                 16.489                 16.804
 ROA3   Fr= 1--       0.328                349.610                377.579
 CID3   Fr= 1--      50.888                 21.202                 22.469
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     16.2971                 2.1219                 2.2165
  Dep-P Fr= 1--      0.7459                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8545                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0000
 Beta2  Fr= 1--      2.3209                 0.3031                 0.3166
 AlphaG Fr= 1--      0.0051                 0.0000                 0.0000
 Gamma2 Fr= 1--    -22.9163                 6.1657                 6.3555
 Delta2 Fr= 1--    -10.3189                 1.3686                 1.4427
 Raman1 Fr= 1--      65.188                  8.488                  8.866
 ROA1   Fr= 1--   -2530.168                635.702                656.298
 CID1   Fr= 1--     -38.813                 74.897                 74.024
 Raman2 Fr= 1--      27.850                  3.638                  3.800
 ROA2   Fr= 1--    -467.439                137.028                140.991
 CID2   Fr= 1--     -16.784                 37.670                 37.106
 Raman3 Fr= 1--      55.700                  7.275                  7.599
 ROA3   Fr= 1--   -2530.168                635.702                656.298
 CID3   Fr= 1--     -45.425                 87.380                 86.361
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    285.8768               268.8210               141.6180
  Dep-P Fr= 1--      0.0301                 0.0327                 0.0669
  Dep-U Fr= 1--      0.0585                 0.0633                 0.1254
 Alpha2 Fr= 1--      5.9194                 5.5325                 2.6865
 Beta2  Fr= 1--      2.7863                 2.8372                 2.9608
 AlphaG Fr= 1--     -1.0581                -0.9774                -0.4755
 Gamma2 Fr= 1--    -12.4338                -9.3056                12.4689
 Delta2 Fr= 1--     -5.9068                -3.9200                 9.6510
 Raman1 Fr= 1--    1143.507               1075.284                566.472
 ROA1   Fr= 1--   -1382.659              -1018.780               1505.843
 CID1   Fr= 1--      -1.209                 -0.947                  2.658
 Raman2 Fr= 1--      33.436                 34.047                 35.529
 ROA2   Fr= 1--    -251.157               -191.975                222.044
 CID2   Fr= 1--      -7.512                 -5.639                  6.250
 Raman3 Fr= 1--      66.871                 68.093                 71.059
 ROA3   Fr= 1--   -1382.659              -1018.780               1505.843
 CID3   Fr= 1--     -20.676                -14.962                 21.191
 RC180  Fr= 1--      -0.883                 -0.873                 -0.749
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     60.3582                67.3448                11.9930
  Dep-P Fr= 1--      0.7494                 0.7496                 0.7490
  Dep-U Fr= 1--      0.8568                 0.8569                 0.8565
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0002
 Beta2  Fr= 1--      8.6188                 9.6180                 1.7119
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0001
 Gamma2 Fr= 1--     12.7473                14.1471                 2.4924
 Delta2 Fr= 1--      9.0947                10.0115                 1.7631
 Raman1 Fr= 1--     241.433                269.379                 47.972
 ROA1   Fr= 1--    1514.772               1678.489                295.690
 CID1   Fr= 1--       6.274                  6.231                  6.164
 Raman2 Fr= 1--     103.426                115.416                 20.543
 ROA2   Fr= 1--     233.178                259.438                 45.713
 CID2   Fr= 1--       2.255                  2.248                  2.225
 Raman3 Fr= 1--     206.851                230.832                 41.086
 ROA3   Fr= 1--    1514.772               1678.489                295.690
 CID3   Fr= 1--       7.323                  7.271                  7.197
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    162.4544               157.5725               179.7180
  Dep-P Fr= 1--      0.4968                 0.5970                 0.1664
  Dep-U Fr= 1--      0.6638                 0.7476                 0.2854
 Alpha2 Fr= 1--      0.8143                 0.4474                 2.6641
 Beta2  Fr= 1--     17.9732                19.6343                 8.5476
 AlphaG Fr= 1--      0.0755                 0.0441                 0.2642
 Gamma2 Fr= 1--    -37.3536               -45.7715                10.5060
 Delta2 Fr= 1--    -28.1154               -35.5562                13.9393
 Raman1 Fr= 1--     649.818                630.290                718.872
 ROA1   Fr= 1--   -4485.640              -5531.860               1454.635
 CID1   Fr= 1--      -6.903                 -8.777                  2.023
 Raman2 Fr= 1--     215.678                235.611                102.572
 ROA2   Fr= 1--    -671.564               -814.066                140.630
 CID2   Fr= 1--      -3.114                 -3.455                  1.371
 Raman3 Fr= 1--     431.357                471.223                205.143
 ROA3   Fr= 1--   -4485.640              -5531.860               1454.635
 CID3   Fr= 1--     -10.399                -11.739                  7.091
 RC180  Fr= 1--       0.328                  0.495                 -0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     55.3243                54.4528                60.8314
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      7.9034                 7.7790                 8.6901
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     33.8364                33.6075                37.5413
 Delta2 Fr= 1--      4.9211                 4.8512                 5.4027
 Raman1 Fr= 1--     221.297                217.811                243.325
 ROA1   Fr= 1--    3405.772               3381.556               3776.848
 CID1   Fr= 1--      15.390                 15.525                 15.522
 Raman2 Fr= 1--      94.841                 93.348                104.281
 ROA2   Fr= 1--     772.705                767.770                857.769
 CID2   Fr= 1--       8.147                  8.225                  8.226
 Raman3 Fr= 1--     189.682                186.695                208.562
 ROA3   Fr= 1--    3405.772               3381.556               3776.848
 CID3   Fr= 1--      17.955                 18.113                 18.109
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.6042                20.5048                 1.9366
  Dep-P Fr= 1--      0.2713                 0.0959                 0.7300
  Dep-U Fr= 1--      0.4269                 0.1751                 0.8440
 Alpha2 Fr= 1--      0.0291                 0.3626                 0.0007
 Beta2  Fr= 1--      0.1853                 0.5983                 0.2724
 AlphaG Fr= 1--     -0.0037                -0.0627                -0.0003
 Gamma2 Fr= 1--      0.3728                 7.7554                 9.8526
 Delta2 Fr= 1--     -0.1625                -0.0026                -1.3544
 Raman1 Fr= 1--      10.417                 82.019                  7.746
 ROA1   Fr= 1--      30.591                744.438                902.512
 CID1   Fr= 1--       2.937                  9.076                116.508
 Raman2 Fr= 1--       2.223                  7.180                  3.269
 ROA2   Fr= 1--      10.247                186.151                247.299
 CID2   Fr= 1--       4.609                 25.927                 75.655
 Raman3 Fr= 1--       4.447                 14.360                  6.538
 ROA3   Fr= 1--      30.591                744.438                902.512
 CID3   Fr= 1--       6.880                 51.842                138.050
 RC180  Fr= 1--      -0.146                 -0.650                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     21.4487                24.7581               443.0019
  Dep-P Fr= 1--      0.6851                 0.5233                 0.0187
  Dep-U Fr= 1--      0.8131                 0.6871                 0.0368
 Alpha2 Fr= 1--      0.0245                 0.1092                 9.4220
 Beta2  Fr= 1--      2.9068                 2.8351                 2.7159
 AlphaG Fr= 1--     -0.0047                -0.0192                -1.4826
 Gamma2 Fr= 1--     -4.0237                -3.4090                -1.4160
 Delta2 Fr= 1--     -0.3780                -1.9614                -2.4328
 Raman1 Fr= 1--      85.795                 99.032               1772.007
 ROA1   Fr= 1--    -398.372               -390.024               -213.788
 CID1   Fr= 1--      -4.643                 -3.938                 -0.121
 Raman2 Fr= 1--      34.882                 34.022                 32.591
 ROA2   Fr= 1--     -93.545                -66.124                -14.523
 CID2   Fr= 1--      -2.682                 -1.944                 -0.446
 Raman3 Fr= 1--      69.764                 68.043                 65.182
 ROA3   Fr= 1--    -398.372               -390.024               -213.788
 CID3   Fr= 1--      -5.710                 -5.732                 -3.280
 RC180  Fr= 1--       0.626                  0.374                 -0.926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     31.8504                22.8392                27.6083
  Dep-P Fr= 1--      0.6157                 0.5839                 0.7486
  Dep-U Fr= 1--      0.7621                 0.7373                 0.8562
 Alpha2 Fr= 1--      0.0785                 0.0710                 0.0007
 Beta2  Fr= 1--      4.0456                 2.8065                 3.9398
 AlphaG Fr= 1--      0.2853                 0.2645                 0.0035
 Gamma2 Fr= 1--      7.4479                16.5885               -42.2809
 Delta2 Fr= 1--     -0.1541                 1.5665               -16.6185
 Raman1 Fr= 1--     127.401                 91.357                110.433
 ROA1   Fr= 1--     710.068               1642.628              -4590.755
 CID1   Fr= 1--       5.573                 17.980                -41.570
 Raman2 Fr= 1--      48.548                 33.678                 47.278
 ROA2   Fr= 1--     179.982                385.593               -881.792
 CID2   Fr= 1--       3.707                 11.449                -18.651
 Raman3 Fr= 1--      97.095                 67.357                 94.555
 ROA3   Fr= 1--     710.068               1642.628              -4590.755
 CID3   Fr= 1--       7.313                 24.387                -48.551
 RC180  Fr= 1--       0.524                  0.475                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     40.9830                 9.1957                32.4922
  Dep-P Fr= 1--      0.5810                 0.7114                 0.7345
  Dep-U Fr= 1--      0.7350                 0.8314                 0.8469
 Alpha2 Fr= 1--      0.1298                 0.0061                 0.0086
 Beta2  Fr= 1--      5.0202                 1.2741                 4.5863
 AlphaG Fr= 1--      0.4833                 0.0225                 0.0334
 Gamma2 Fr= 1--     33.7229                -5.1908               -35.2681
 Delta2 Fr= 1--      7.0106                 6.5755                 2.5470
 Raman1 Fr= 1--     163.932                 36.783                129.969
 ROA1   Fr= 1--    3461.734               -287.899              -3304.235
 CID1   Fr= 1--      21.117                 -7.827                -25.423
 Raman2 Fr= 1--      60.242                 15.290                 55.035
 ROA2   Fr= 1--     753.265               -177.182               -866.812
 CID2   Fr= 1--      12.504                -11.588                -15.750
 Raman3 Fr= 1--     120.485                 30.579                110.070
 ROA3   Fr= 1--    3461.734               -287.899              -3304.235
 CID3   Fr= 1--      28.732                 -9.415                -30.019
 RC180  Fr= 1--       0.470                  0.663                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157108D+03 -0.357379D-02 -0.101475D-03
      2  -0.357379D-02  0.157054D+03  0.399099D-02
      3  -0.101475D-03  0.399099D-02  0.121140D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.296034D+01 -0.289006D-01 -0.166837D-01
      2  -0.347713D-02  0.292145D+01 -0.764097D-02
      3   0.376709D-01  0.873118D-03 -0.491354D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.341093D+02 -0.842264D+02 -0.841206D-02
      2  -0.341413D+02  0.842437D+02  0.104898D-01
      3   0.319714D-01 -0.173907D-01 -0.207774D-02
      4  -0.841999D+02 -0.341631D+02  0.302043D-02
      5  -0.108590D-01  0.550488D+01  0.161040D-01
      6  -0.549230D+01  0.142321D-02 -0.121743D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110510D+01  0.252962D+01 -0.181392D+01  0.962266D+00  0.118165D+01
      2   0.252962D+01  0.280216D+01 -0.367655D+01  0.118165D+01  0.381832D+01
      3  -0.181392D+01 -0.367655D+01 -0.718177D-01 -0.363166D+01 -0.692864D+00
                 6             7             8             9            10 
      1  -0.363166D+01 -0.197320D+01 -0.478987D+01  0.430024D+00  0.512926D+01
      2  -0.692864D+00 -0.478987D+01 -0.139297D+01  0.290861D+01  0.746709D+00
      3   0.187249D+01  0.430024D+00  0.290861D+01 -0.329071D+00  0.263939D+01
                11            12            13            14            15 
      1   0.746709D+00  0.263939D+01  0.270377D+01  0.160188D+01  0.344179D+01
      2   0.531127D+00  0.340722D+01  0.160188D+01 -0.212054D+00 -0.136417D+00
      3   0.340722D+01  0.178825D+01  0.344179D+01 -0.136417D+00 -0.567458D+00
                16            17            18            19            20 
      1   0.387693D+01  0.426467D+01  0.292406D+01 -0.108767D+02 -0.230321D+01
      2   0.426467D+01 -0.520380D+00 -0.355327D+00 -0.230321D+01  0.156009D+00
      3   0.292406D+01 -0.355327D+00  0.328212D+00 -0.455803D+01 -0.240937D+01
                21            22            23            24            25 
      1  -0.455803D+01 -0.501793D+01 -0.912037D+00 -0.303323D+01 -0.305476D+01
      2  -0.240937D+01 -0.912037D+00 -0.158709D+01 -0.798771D-02 -0.139808D+01
      3  -0.191748D+01 -0.303323D+01 -0.798771D-02  0.225674D+00 -0.220464D+01
                26            27            28            29            30 
      1  -0.139808D+01 -0.220464D+01 -0.678733D+00  0.174392D+01  0.147052D-01
      2   0.695452D-01  0.980810D+00  0.174392D+01  0.712981D+00 -0.172177D+01
      3   0.980810D+00  0.812991D+00  0.147052D-01 -0.172177D+01 -0.298580D-03
                31            32            33            34            35 
      1   0.175379D+01  0.712892D+00  0.174519D+01 -0.264104D-01 -0.478515D-02
      2   0.712892D+00 -0.176787D+01 -0.198782D-02 -0.478515D-02 -0.197779D-01
      3   0.174519D+01 -0.198782D-02 -0.442014D-02  0.586058D-04 -0.167927D-02
                36            37            38            39            40 
      1   0.586058D-04 -0.267507D+01 -0.284822D+01  0.170626D+01 -0.112959D+01
      2  -0.167927D-02 -0.284822D+01 -0.650683D+01  0.379651D+01 -0.417331D+01
      3  -0.574272D-02  0.170626D+01  0.379651D+01 -0.280951D+00  0.318340D+01
                41            42            43            44            45 
      1  -0.417331D+01  0.318340D+01  0.889445D+00  0.200770D+01  0.360579D+00
      2  -0.745784D+01  0.283805D+01  0.200770D+01  0.213593D+01 -0.238583D+01
      3   0.283805D+01 -0.190559D+01  0.360579D+00 -0.238583D+01 -0.809816D+00
                46            47            48            49            50 
      1   0.122224D+02  0.687852D+00  0.559166D+01 -0.218045D+01  0.126245D+00
      2   0.687852D+00 -0.202522D+00 -0.949805D+00  0.126245D+00 -0.144840D+01
      3   0.559166D+01 -0.949805D+00  0.179408D+01 -0.155691D+01 -0.104221D+01
                51            52            53            54            55 
      1  -0.155691D+01  0.355136D+01 -0.455295D+00  0.188568D+01 -0.586306D+01
      2  -0.104221D+01 -0.455295D+00 -0.550517D+00  0.150891D+01 -0.292767D+00
      3   0.714181D+00  0.188568D+01  0.150891D+01 -0.808252D+00 -0.414396D+01
                56            57            58            59            60 
      1  -0.292767D+00 -0.414396D+01  0.188904D+01 -0.785576D+00  0.232297D+01
      2  -0.246036D+00  0.228496D+01 -0.785576D+00 -0.902662D+00  0.164112D+01
      3   0.228496D+01 -0.158443D+01  0.232297D+01  0.164112D+01 -0.998235D+00
                61            62            63            64            65 
      1  -0.568763D+01  0.263552D+01 -0.273669D+01 -0.282721D+01  0.297064D+01
      2   0.263552D+01  0.233268D+01 -0.107997D+01  0.297064D+01 -0.217315D+01
      3  -0.273669D+01 -0.107997D+01 -0.332258D+00  0.352978D+01 -0.292914D+01
                66            67            68            69            70 
      1   0.352978D+01  0.105448D+01 -0.100876D+01 -0.289008D+01  0.427560D+01
      2  -0.292914D+01 -0.100876D+01  0.259351D+01 -0.102992D+01 -0.403126D+01
      3  -0.406868D+00 -0.289008D+01 -0.102992D+01  0.182673D+01 -0.116119D+01
                71            72            73            74            75 
      1  -0.403126D+01 -0.116119D+01  0.509233D+01 -0.464405D+01 -0.350395D+01
      2  -0.925828D+00  0.270460D+01 -0.464405D+01  0.596436D+01  0.363707D+01
      3   0.270460D+01  0.330814D+00 -0.350395D+01  0.363707D+01  0.758224D+00
                76            77            78            79            80 
      1  -0.237768D+01  0.415894D+01  0.301958D+01 -0.192568D+01  0.205243D+01
      2   0.415894D+01 -0.359961D+01 -0.105344D+01  0.205243D+01 -0.106665D+01
      3   0.301958D+01 -0.105344D+01 -0.177001D+01  0.256860D+00 -0.239722D+01
                81            82            83            84            85 
      1   0.256860D+00 -0.113756D+01  0.918961D+00  0.120445D+01  0.135294D+01
      2  -0.239722D+01  0.918961D+00  0.778513D+00 -0.296506D+00  0.365198D+01
      3   0.810862D+00  0.120445D+01 -0.296506D+00  0.115491D+01 -0.918409D+00
                86            87            88            89            90 
      1   0.365198D+01 -0.918409D+00  0.483815D+00 -0.649700D+00  0.195034D+01
      2   0.112050D+02 -0.576020D+01 -0.649700D+00 -0.349317D+01  0.141627D+01
      3  -0.576020D+01  0.153969D+01  0.195034D+01  0.141627D+01  0.813654D+00
                91            92            93            94            95 
      1  -0.126446D+01 -0.410500D+00 -0.240679D+01 -0.461109D+00 -0.163744D+01
      2  -0.410500D+00  0.606384D+00 -0.536938D+00 -0.163744D+01 -0.568968D+01
      3  -0.240679D+01 -0.536938D+00 -0.138559D+01 -0.497182D+00  0.490977D+01
                96            97            98            99           100 
      1  -0.497182D+00 -0.311202D+01 -0.235115D+00 -0.176938D+01  0.170428D+01
      2   0.490977D+01 -0.235115D+00  0.646925D+01 -0.235421D+01 -0.585738D+00
      3  -0.126931D+01 -0.176938D+01 -0.235421D+01  0.322955D+00  0.218622D+01
               101           102           103           104           105 
      1  -0.585738D+00  0.218622D+01 -0.120583D+01  0.264962D+01  0.136871D+01
      2   0.488962D+00  0.133173D+01  0.264962D+01 -0.457358D+01 -0.469206D+01
      3   0.133173D+01  0.166236D+01  0.136871D+01 -0.469206D+01 -0.867984D+00
               106           107           108           109           110 
      1   0.260968D+01  0.215165D+01  0.231052D+01 -0.425210D+00  0.265372D+01
      2   0.215165D+01 -0.596071D+01 -0.182215D+01  0.265372D+01 -0.242427D+01
      3   0.231052D+01 -0.182215D+01 -0.321954D+00 -0.459938D+00 -0.193421D+01
               111           112           113           114           115 
      1  -0.459938D+00  0.380136D+01 -0.509711D+01 -0.255080D+01  0.724942D-01
      2  -0.193421D+01 -0.509711D+01  0.843753D+01  0.501841D+01 -0.154741D+01
      3  -0.151476D+01 -0.255080D+01  0.501841D+01  0.119613D+01 -0.225226D+01
               116           117           118           119           120 
      1  -0.154741D+01 -0.225226D+01 -0.490332D+00 -0.956362D+00  0.286208D+00
      2   0.290759D+01  0.877452D+00 -0.956362D+00 -0.386833D+00  0.416256D+00
      3   0.877452D+00 -0.816725D+00  0.286208D+00  0.416256D+00 -0.266881D+00
               121           122           123           124           125 
      1  -0.147826D+01  0.559243D+00  0.108933D+00  0.735761D+00  0.263604D+00
      2   0.559243D+00 -0.508663D+01  0.162849D+01  0.263604D+00  0.274917D+01
      3   0.108933D+00  0.162849D+01 -0.147703D+01  0.259795D+00 -0.198442D+01
               126           127           128           129           130 
      1   0.259795D+00  0.692946D+01 -0.334159D+01 -0.241077D+01 -0.267291D+01
      2  -0.198442D+01 -0.334159D+01  0.278138D+01  0.142332D+01  0.276435D+01
      3   0.211314D+01 -0.241077D+01  0.142332D+01  0.173036D+01  0.133535D+01
               131           132           133           134           135 
      1   0.276435D+01  0.133535D+01 -0.395234D+01  0.280624D+01  0.275909D+01
      2  -0.346631D+01 -0.118940D+01  0.280624D+01 -0.206464D+01 -0.218377D+01
      3  -0.118940D+01 -0.118584D+01  0.275909D+01 -0.218377D+01 -0.267503D+01
               136           137           138           139           140 
      1   0.309570D+01  0.131098D+01 -0.700095D+00  0.234380D+01  0.123510D+01
      2   0.131098D+01  0.941312D+00 -0.519807D+00  0.123510D+01  0.289532D+01
      3  -0.700095D+00 -0.519807D+00  0.861088D+00 -0.823715D+00 -0.121366D+01
               141           142           143           144           145 
      1  -0.823715D+00 -0.148065D+01 -0.100763D+01  0.159062D+01  0.990580D+01
      2  -0.121366D+01 -0.100763D+01 -0.199415D+01  0.121191D+01 -0.121566D+01
      3   0.122757D+01  0.159062D+01  0.121191D+01 -0.211041D+01  0.317564D+01
               146           147           148           149           150 
      1  -0.121566D+01  0.317564D+01 -0.170092D+01  0.175527D+01 -0.666837D+00
      2   0.129332D+01 -0.578377D+00  0.175527D+01 -0.875476D+00  0.425472D+00
      3  -0.578377D+00  0.206079D+01 -0.666837D+00  0.425472D+00 -0.393465D+00
               151           152           153           154           155 
      1   0.580531D+01 -0.967174D+00  0.349317D+01  0.381404D+01  0.133138D+01
      2  -0.967174D+00  0.209901D+00 -0.421262D+00  0.133138D+01  0.229557D+01
      3   0.349317D+01 -0.421262D+00  0.267551D+01  0.152085D+01  0.603159D+00
               156           157           158           159           160 
      1   0.152085D+01  0.777619D+00  0.137387D+01  0.296731D+00  0.247332D+01
      2   0.603159D+00  0.137387D+01  0.174534D+01  0.398497D+00  0.738567D+00
      3   0.141227D+01  0.296731D+00  0.398497D+00  0.509509D+00  0.159034D+01
               161           162           163           164           165 
      1   0.738567D+00  0.159034D+01  0.296815D+00  0.155797D+01 -0.300749D+00
      2   0.101402D+01  0.121699D+01  0.155797D+01  0.174106D+00 -0.119996D+00
      3   0.121699D+01  0.211898D+01 -0.300749D+00 -0.119996D+00  0.164917D+00
               166           167           168           169           170 
      1   0.123881D+01  0.760468D+00 -0.206734D+00 -0.107437D+00 -0.588853D+00
      2   0.760468D+00  0.102394D+02 -0.329911D+01 -0.588853D+00 -0.590664D+01
      3  -0.206734D+00 -0.329911D+01  0.209136D+01  0.515435D+00  0.347853D+01
               171           172           173           174           175 
      1   0.515435D+00 -0.460884D+01  0.112173D+01 -0.166793D+01  0.347198D+00
      2   0.347853D+01  0.112173D+01 -0.194049D+01  0.265824D+00 -0.118468D+01
      3  -0.267241D+01 -0.166793D+01  0.265824D+00 -0.149465D+01 -0.371786D-01
               176           177           178           179           180 
      1  -0.118468D+01 -0.371786D-01 -0.274182D+01  0.283692D+00 -0.184681D+01
      2   0.511591D+00 -0.250512D+00  0.283692D+00 -0.750703D+00  0.770628D+00
      3  -0.250512D+00  0.130788D+00 -0.184681D+01  0.770628D+00 -0.211936D+01
               181           182           183           184           185 
      1  -0.157858D+01  0.201457D+01  0.574372D+00  0.185468D+01 -0.244533D+01
      2   0.201457D+01 -0.179887D+01 -0.837060D+00 -0.244533D+01  0.913176D+01
      3   0.574372D+00 -0.837060D+00 -0.691674D+00 -0.922572D+00  0.302409D+01
               186           187           188           189           190 
      1  -0.922572D+00  0.771256D+00 -0.193887D+01 -0.138242D+01 -0.423963D+01
      2   0.302409D+01 -0.193887D+01  0.524086D+01  0.323113D+01  0.893531D+00
      3   0.197859D+01 -0.138242D+01  0.323113D+01  0.267007D+01  0.106511D+01
               191           192           193           194           195 
      1   0.893531D+00  0.106511D+01  0.197664D+01 -0.101076D+01 -0.863093D+00
      2  -0.991778D+00 -0.558212D+00 -0.101076D+01  0.207265D+01  0.853130D+00
      3  -0.558212D+00 -0.114442D+01 -0.863093D+00  0.853130D+00  0.970060D+00
               196           197           198           199           200 
      1   0.202024D+01 -0.999427D+00 -0.184623D+01 -0.826804D+01 -0.262849D+01
      2  -0.999427D+00  0.147599D+01  0.770387D+00 -0.262849D+01 -0.190959D+01
      3  -0.184623D+01  0.770387D+00  0.211809D+01 -0.269244D+01 -0.117299D+01
               201           202           203           204           205 
      1  -0.269244D+01 -0.297343D+01 -0.247717D+01 -0.125866D+01 -0.497015D+01
      2  -0.117299D+01 -0.247717D+01 -0.234883D+01 -0.907273D+00 -0.221648D+01
      3  -0.189360D+01 -0.125866D+01 -0.907273D+00 -0.901945D+00 -0.327085D+01
               206           207           208           209           210 
      1  -0.221648D+01 -0.327085D+01  0.128382D+01 -0.876947D+00 -0.502900D+00
      2  -0.104606D+01 -0.129267D+01 -0.876947D+00  0.122605D+01  0.708875D+00
      3  -0.129267D+01 -0.267372D+01 -0.502900D+00  0.708875D+00  0.631297D+00
               211           212           213           214           215 
      1  -0.113650D+01  0.184873D+00  0.403732D+00 -0.991568D+00  0.721569D+00
      2   0.184873D+00 -0.497201D+01 -0.141320D+01  0.721569D+00 -0.248661D+01
      3   0.403732D+00 -0.141320D+01 -0.136053D+01  0.251094D+00 -0.198529D+01
               216           217           218           219           220 
      1   0.251094D+00 -0.450931D+01 -0.323895D+01  0.165468D+01 -0.259429D+01
      2  -0.198529D+01 -0.323895D+01 -0.332712D+01  0.154582D+01 -0.313820D+01
      3  -0.211341D+01  0.165468D+01  0.154582D+01 -0.137274D+01  0.145733D+01
               221           222           223           224           225 
      1  -0.313820D+01  0.145733D+01  0.245184D+01  0.290727D+01 -0.211242D+01
      2  -0.580792D+01  0.194617D+01  0.290727D+01  0.356508D+01 -0.281332D+01
      3   0.194617D+01 -0.158717D+01 -0.211242D+01 -0.281332D+01  0.267476D+01
               226           227           228           229           230 
      1   0.237582D+01 -0.314002D+00  0.311204D+00 -0.177543D+01  0.121796D+01
      2  -0.314002D+00  0.315243D+01 -0.210087D+01  0.121796D+01 -0.396807D+01
      3   0.311204D+00 -0.210087D+01  0.159801D+01 -0.974466D+00  0.153548D+01
               231           232           233           234           235 
      1  -0.974466D+00  0.410403D+00 -0.113025D+01  0.712694D+00 -0.135535D+01
      2   0.153548D+01 -0.113025D+01  0.774720D+00 -0.954321D+00 -0.295396D+00
      3  -0.137980D+01  0.712694D+00 -0.954321D+00  0.184531D+01  0.113721D+01
               236           237           238           239           240 
      1  -0.295396D+00  0.113721D+01  0.529233D+00  0.120718D+01 -0.877949D+00
      2  -0.285669D+00 -0.142156D+00  0.120718D+01  0.198438D+01 -0.242083D+00
      3  -0.142156D+00 -0.160133D+01 -0.877949D+00 -0.242083D+00  0.146533D+01
               241           242           243           244           245 
      1   0.134030D+01  0.298260D+00 -0.141239D+01 -0.229936D+01  0.142370D+01
      2   0.298260D+00  0.132776D+01 -0.387072D+00  0.142370D+01 -0.178060D+01
      3  -0.141239D+01 -0.387072D+00  0.591070D+01 -0.661385D+00  0.107098D+01
               246           247           248           249           250 
      1  -0.661385D+00  0.367589D+01 -0.873392D+00  0.220130D+01 -0.172547D+00
      2   0.107098D+01 -0.873392D+00  0.317743D+01 -0.117946D+01  0.106731D+01
      3  -0.906878D+00  0.220130D+01 -0.117946D+01  0.190788D+01 -0.730461D+00
               251           252           253           254           255 
      1   0.106731D+01 -0.730461D+00  0.227706D+01  0.510239D+00  0.410805D+00
      2  -0.101589D+01  0.940262D+00  0.510239D+00 -0.285857D+00  0.453957D+00
      3   0.940262D+00 -0.184664D+01  0.410805D+00  0.453957D+00  0.990654D+00
               256           257           258           259           260 
      1  -0.115929D+01 -0.685220D+00 -0.279715D+00 -0.147672D+01 -0.258453D+00
      2  -0.685220D+00 -0.109958D+01 -0.130132D+01 -0.258453D+00 -0.118450D+01
      3  -0.279715D+00 -0.130132D+01 -0.193433D+01 -0.749471D+00 -0.126428D+01
               261           262           263           264           265 
      1  -0.749471D+00 -0.549150D+01  0.378380D+00  0.255792D+01 -0.562969D+00
      2  -0.126428D+01  0.378380D+00 -0.224732D+01 -0.323442D+00 -0.160301D-01
      3  -0.591562D+01  0.255792D+01 -0.323442D+00 -0.199079D+01  0.803603D+00
               266           267           268           269           270 
      1  -0.160301D-01  0.803603D+00  0.166250D+01  0.409673D+00 -0.118091D+01
      2  -0.135731D+01 -0.716193D+00  0.409673D+00 -0.477063D+00 -0.142098D+00
      3  -0.716193D+00 -0.694673D+00 -0.118091D+01 -0.142098D+00  0.184344D+01
               271           272           273           274           275 
      1   0.646799D+00 -0.912667D+00  0.542358D+00 -0.308749D-01  0.889566D+00
      2  -0.912667D+00  0.235267D+01  0.121952D+01  0.889566D+00  0.196137D+00
      3   0.542358D+00  0.121952D+01  0.206817D+01  0.483956D+00  0.352023D+00
               276           277           278           279           280 
      1   0.483956D+00  0.107285D+01 -0.146699D+00  0.367669D+00  0.509203D+01
      2   0.352023D+00 -0.146699D+00  0.159911D+01  0.142262D+01  0.103639D+01
      3   0.657038D+00  0.367669D+00  0.142262D+01  0.591883D+01 -0.246474D+01
               281           282           283           284           285 
      1   0.103639D+01 -0.246474D+01  0.698783D+00  0.486809D+00 -0.316866D-01
      2   0.288661D+01 -0.115761D+01  0.486809D+00 -0.578491D+00  0.620871D+00
      3  -0.115761D+01  0.210282D+01 -0.316866D-01  0.620871D+00 -0.164199D+00
               286           287           288           289           290 
      1  -0.173036D+01 -0.169231D+00  0.117905D+01 -0.396306D+00 -0.152675D+00
      2  -0.169231D+00  0.540626D+00  0.163619D+00 -0.152675D+00 -0.253048D+01
      3   0.117905D+01  0.163619D+00 -0.184400D+01 -0.946908D+00  0.106286D+01
               291           292           293           294           295 
      1  -0.946908D+00  0.339027D+00 -0.899403D+00  0.329767D+00 -0.103106D+01
      2   0.106286D+01 -0.899403D+00 -0.928351D+00  0.581857D-01  0.251755D-02
      3  -0.216273D+01  0.329767D+00  0.581857D-01  0.111021D+00 -0.716628D+00
               296           297           298           299           300 
      1   0.251755D-02 -0.716628D+00  0.700066D+00  0.110010D+01 -0.104291D+00
      2  -0.162789D+01  0.128001D+01  0.110010D+01  0.149705D+01  0.733957D+00
      3   0.128001D+01 -0.591440D+01 -0.104291D+00  0.733957D+00  0.393778D+00
               301           302           303           304           305 
      1   0.350489D+01  0.120166D+01  0.186051D+01 -0.294906D+00  0.721930D+00
      2   0.120166D+01  0.416551D+01  0.195035D+01  0.721930D+00  0.148364D+01
      3   0.186051D+01  0.195035D+01  0.207869D+01  0.469684D+00  0.109736D+01
               306           307           308           309           310 
      1   0.469684D+00 -0.189579D+01 -0.329673D+00 -0.339558D+00 -0.203844D+01
      2   0.109736D+01 -0.329673D+00  0.550832D+00  0.259016D-01  0.516322D+00
      3   0.185001D+01 -0.339558D+00  0.259016D-01 -0.463062D+00 -0.712217D+00
               311           312           313           314           315 
      1   0.516322D+00 -0.712217D+00  0.159404D+01 -0.155817D+00  0.104493D+01
      2  -0.651668D+00  0.123811D+01 -0.155817D+00  0.108155D+01 -0.103339D+01
      3   0.123811D+01 -0.212472D+01  0.104493D+01 -0.103339D+01  0.591391D+01
               316           317           318           319           320 
      1  -0.186497D+01  0.504620D-01  0.366355D+00 -0.185182D+01 -0.528071D+00
      2   0.504620D-01 -0.203004D+01 -0.160448D+01 -0.528071D+00 -0.510306D+01
      3   0.366355D+00 -0.160448D+01 -0.119891D+01 -0.475895D+00 -0.221334D+01
               321           322           323           324           325 
      1  -0.475895D+00  0.119531D+00 -0.898913D+00 -0.448408D+00  0.107518D+01
      2  -0.221334D+01 -0.898913D+00 -0.131117D+01 -0.110623D+01  0.366038D+00
      3  -0.174300D+01 -0.448408D+00 -0.110623D+01 -0.185047D+01 -0.796834D+00
               326           327           328           329           330 
      1   0.366038D+00 -0.796834D+00  0.154352D+01 -0.136338D+01 -0.115385D+01
      2  -0.124371D+00 -0.418636D+00 -0.136338D+01  0.130868D+01 -0.955655D-01
      3  -0.418636D+00  0.117789D+01 -0.115385D+01 -0.955655D-01  0.182699D+01
               331           332           333 
      1  -0.148740D+01  0.256721D+00  0.146945D+01
      2   0.256721D+00 -0.118209D+01 -0.155691D-01
      3   0.146945D+01 -0.155691D-01 -0.591297D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.420911D+01 -0.484073D+01 -0.475852D+01 -0.675607D+01  0.354501D+01
      2   0.514825D+01  0.385292D+01  0.703690D+01  0.459883D+01 -0.491671D+01
      3   0.332766D+01 -0.810816D+01  0.220232D+01 -0.172279D+01  0.323456D+01
                 6             7             8             9            10 
      1   0.205258D+01 -0.505339D+01  0.383859D+01  0.112999D+01 -0.195972D+01
      2  -0.194270D+01  0.268843D+01 -0.779799D+00 -0.881070D+00  0.584130D+00
      3   0.940800D+01 -0.562902D+00  0.131982D+02  0.597686D+01 -0.712158D+00
                11            12            13            14            15 
      1   0.425161D+01 -0.177071D+00  0.404338D+01  0.200046D+01 -0.565978D+01
      2  -0.937830D+01 -0.699513D+00 -0.735341D+01 -0.128545D+01  0.688367D+01
      3   0.103317D+01  0.964671D+01  0.736420D+01 -0.586283D+01 -0.377475D+00
                16            17            18            19            20 
      1  -0.612397D+00 -0.115797D+01 -0.580613D+00  0.544577D+01 -0.940972D+01
      2  -0.222566D+01  0.647796D+01  0.137045D+01  0.162659D+02  0.481132D+01
      3   0.125889D+02 -0.405475D+01 -0.600036D+01 -0.132501D+02  0.715216D+01
                21            22            23            24            25 
      1   0.661234D+01 -0.155869D+02 -0.237219D+00 -0.922885D+01  0.448415D+01
      2  -0.288022D+00 -0.279248D+01  0.611718D+00 -0.863634D+01 -0.245748D+02
      3  -0.942096D+01  0.267124D+02  0.418313D+01  0.102372D+02 -0.302068D+01
                26            27            28            29            30 
      1  -0.317347D-01  0.424579D+00  0.130362D+00 -0.536797D+00 -0.579747D-01
      2  -0.977617D+01 -0.183128D+02 -0.271865D+00 -0.394092D+00  0.124284D+01
      3   0.648454D+01  0.251044D+01 -0.100721D+00  0.837092D-01  0.179216D+00
                31            32            33            34            35 
      1  -0.384232D+00 -0.296455D+00 -0.116503D+01  0.878897D-01 -0.388805D+01
      2  -0.166174D+00  0.379401D+00 -0.161032D+00  0.420008D+01 -0.299737D+00
      3  -0.210664D+00  0.180416D+00  0.399881D-03  0.977660D-01 -0.446798D-01
                36            37            38            39            40 
      1  -0.285281D+00  0.515847D+00 -0.224036D+01  0.100279D+02  0.668988D+01
      2   0.113967D+00 -0.665179D+01 -0.121874D+02  0.461373D+01 -0.823630D+01
      3   0.116740D+00 -0.116876D+02 -0.199040D+02  0.734197D+01 -0.315654D+00
                41            42            43            44            45 
      1   0.171220D+02 -0.428091D+01  0.151003D+02  0.191820D+02 -0.174911D+02
      2   0.714776D+01 -0.791432D+01 -0.538242D+01 -0.975872D+01  0.511565D+01
      3   0.206645D+02 -0.117756D+02  0.535430D+01 -0.457255D+01 -0.253011D+01
                46            47            48            49            50 
      1  -0.293803D+01 -0.865240D+01 -0.325864D+01 -0.166581D+02 -0.621225D+01
      2   0.154136D+02 -0.313965D+01 -0.345970D+01  0.252937D+01 -0.494772D+00
      3   0.375542D+01  0.929658D+01  0.648195D+01  0.289019D+02  0.511118D+01
                51            52            53            54            55 
      1  -0.123640D+02  0.242849D+01 -0.196108D+01  0.433112D+01  0.625130D+00
      2   0.541745D+01 -0.266122D+02  0.300118D+01 -0.178370D+02 -0.358470D+01
      3   0.123228D+02  0.133804D+01  0.706787D+01 -0.257898D+01 -0.101999D+01
                56            57            58            59            60 
      1   0.231539D+01  0.129757D+01  0.262596D+01 -0.461937D+00 -0.352417D+01
      2   0.965491D+01  0.146554D+01  0.760142D+01  0.294651D+01 -0.798971D+01
      3  -0.760950D+00 -0.924940D+01  0.561221D+01  0.758781D+01 -0.283133D+01
                61            62            63            64            65 
      1   0.988489D+00  0.806791D+00  0.207594D+00  0.466219D+01 -0.191132D+01
      2  -0.306199D+00 -0.680379D+01  0.144461D+01  0.798548D+01 -0.138700D+01
      3  -0.111342D+02 -0.713186D+01  0.596074D+01 -0.892405D+00 -0.751626D+01
                66            67            68            69            70 
      1   0.235236D+01 -0.355588D+01 -0.409982D+01  0.215582D+01  0.322573D+01
      2   0.712409D+01 -0.257059D+01 -0.765586D+01  0.433421D+01  0.337358D+01
      3  -0.449549D+01 -0.115043D+01 -0.566837D+01  0.855821D+01 -0.281278D+01
                71            72            73            74            75 
      1   0.443011D+01 -0.889928D+00  0.193294D+00 -0.373317D+00 -0.900772D+01
      2   0.260647D+01 -0.118790D+01 -0.111243D+02  0.771678D+01  0.218564D+00
      3   0.129509D+02 -0.596735D+01  0.146341D+02 -0.106489D+02 -0.420506D+01
                76            77            78            79            80 
      1   0.921754D+01 -0.173094D+02 -0.869342D+01 -0.169797D+02  0.121982D+02
      2   0.607820D+01  0.716235D+01  0.689804D+01 -0.124162D+02  0.116134D+02
      3   0.894849D+01 -0.235262D+02 -0.132780D+02 -0.407174D+01 -0.592291D+01
                81            82            83            84            85 
      1   0.156997D+02 -0.278647D+01  0.280015D+01 -0.735554D+00 -0.664808D+00
      2   0.953379D+01 -0.122328D+02 -0.152333D+02  0.133991D+02 -0.613654D+01
      3   0.253954D+01 -0.148496D+02 -0.258118D+02  0.135243D+02 -0.629894D+01
                86            87            88            89            90 
      1   0.148266D+02  0.453084D+01  0.441699D+01  0.246173D+02 -0.160271D+02
      2  -0.751509D+00 -0.131402D+01  0.453446D-01 -0.972098D+01  0.879702D+01
      3   0.575018D+01  0.304624D+01  0.707170D+01 -0.597354D+00  0.251789D+01
                91            92            93            94            95 
      1   0.684109D+01  0.528928D+01  0.788641D+01  0.716237D+01 -0.745876D+01
      2  -0.971216D+00  0.120692D+01  0.101865D+01  0.377846D+00  0.129319D+01
      3  -0.820027D+01 -0.306307D+01 -0.513943D+01  0.329277D+01  0.164754D+01
                96            97            98            99           100 
      1  -0.392261D+01  0.616092D+01 -0.162681D+01  0.147930D+01 -0.856253D+01
      2  -0.117347D+01 -0.275815D+01 -0.311951D+00 -0.181109D+00 -0.271195D+01
      3  -0.817751D+01 -0.978583D+01 -0.888878D+01 -0.598899D+01  0.748280D+01
               101           102           103           104           105 
      1   0.136607D+01 -0.656991D+01  0.296738D+01  0.906980D+01 -0.600279D+01
      2  -0.136330D+01 -0.100358D+01 -0.826528D-01  0.316210D+01 -0.136491D+00
      3  -0.663522D+00  0.704325D+01  0.571196D+01 -0.940757D+00 -0.660050D+01
               106           107           108           109           110 
      1  -0.467709D+01 -0.295389D+01 -0.138131D+01  0.537307D+01  0.398786D+01
      2  -0.406045D+01 -0.118642D+01 -0.559331D+00 -0.158855D+02  0.125142D+02
      3   0.117323D+02 -0.607153D+01  0.600540D+01  0.213971D+02 -0.187053D+02
               111           112           113           114           115 
      1  -0.360755D+01  0.292054D+01 -0.136605D+02  0.322529D+01 -0.952891D+01
      2   0.121618D+02  0.273325D+01  0.331475D+00  0.572380D+01 -0.498646D+01
      3  -0.139141D+02  0.853423D+00 -0.123699D+02 -0.505999D+00 -0.676800D+01
               116           117           118           119           120 
      1   0.195466D+02  0.133020D+02  0.963962D+00  0.123350D+01 -0.148169D+01
      2   0.148936D+02  0.126411D+02  0.998523D+00  0.132925D+01 -0.614304D+00
      3  -0.242609D+01 -0.254538D+01  0.623404D+01  0.330039D+01 -0.233325D+01
               121           122           123           124           125 
      1   0.455474D+00  0.483904D+01 -0.507506D+01  0.133478D+00 -0.384764D+01
      2   0.658181D+00  0.539711D+01 -0.383545D+01 -0.174538D+01 -0.514856D+01
      3   0.381650D+01  0.131411D+02 -0.539259D+01 -0.377576D+01 -0.895173D+01
               126           127           128           129           130 
      1   0.621080D+01 -0.239204D+01  0.126456D+01  0.328197D+01  0.745916D+00
      2   0.689971D+01 -0.170249D+01  0.208897D+01  0.488009D+01  0.110081D+01
      3   0.505860D+01 -0.550940D+01 -0.203262D+01  0.704418D+00 -0.843192D+00
               131           132           133           134           135 
      1  -0.234116D+00 -0.263418D+01  0.189895D+01 -0.446895D+00 -0.406182D+01
      2  -0.114696D+01 -0.334177D+01  0.216062D+00 -0.173661D+01 -0.579000D+01
      3   0.431748D+01  0.904912D+00  0.399657D+01 -0.859754D+00  0.163636D+00
               136           137           138           139           140 
      1  -0.120742D+00 -0.238098D+00 -0.174639D+00 -0.167184D+00 -0.329448D+00
      2  -0.302560D+01 -0.241989D+01  0.344038D+01 -0.344118D+01 -0.558087D+01
      3  -0.616654D+01 -0.375061D+01  0.218329D+01 -0.322190D+01 -0.132089D+02
               141           142           143           144           145 
      1  -0.102740D+01 -0.272562D+00  0.161075D+01 -0.534573D+00  0.516406D+00
      2   0.548556D+01  0.373600D+01  0.527492D+01 -0.924603D+01  0.375720D+01
      3   0.545157D+01  0.368944D+01  0.897799D+01 -0.505379D+01 -0.879552D+00
               146           147           148           149           150 
      1   0.728720D+00  0.118093D+01  0.392416D+00 -0.342651D+00 -0.453209D+00
      2  -0.443854D+00  0.705977D+01 -0.150254D+01  0.103343D+00 -0.111799D+01
      3  -0.549878D+01 -0.146384D+00 -0.430747D+01  0.207764D+01 -0.113720D+01
               151           152           153           154           155 
      1  -0.178254D+00  0.148876D+01  0.125341D+01 -0.676756D+01 -0.232730D+01
      2   0.215145D+01  0.223990D-01  0.696240D+01  0.140411D+01  0.547832D+00
      3   0.341064D+01 -0.223071D+01 -0.169895D+00  0.144560D+02  0.937525D+00
               156           157           158           159           160 
      1  -0.570976D+01 -0.135706D+01 -0.167901D+01 -0.184933D+01 -0.625379D+01
      2   0.262985D+01  0.207073D+00  0.421142D+00  0.399497D+00  0.166813D+00
      3   0.583955D+01  0.149071D+01  0.487390D+01  0.669294D+00  0.964006D+01
               161           162           163           164           165 
      1  -0.194997D+01 -0.909267D+01 -0.127644D+00 -0.290873D+00 -0.724045D+00
      2   0.124007D+01  0.192893D+01  0.381389D-01  0.626399D+00  0.329173D+00
      3   0.118905D+01  0.506150D+01  0.623173D+00  0.437362D+01 -0.113786D+01
               166           167           168           169           170 
      1   0.828268D+00  0.391705D+01 -0.718926D+01 -0.938116D+00 -0.185976D+01
      2   0.673844D+00 -0.889291D+00  0.655876D+00 -0.118345D+01  0.109300D+01
      3   0.557011D+01 -0.181348D+01  0.156320D+00 -0.125444D+01  0.388911D+01
               171           172           173           174           175 
      1   0.704039D+01  0.671667D+01 -0.727959D+00  0.512084D+01  0.124281D+00
      2  -0.626161D+00  0.334570D+01 -0.452423D+00  0.407798D+01  0.110600D+00
      3   0.171422D+00 -0.144356D+02 -0.159553D+01 -0.582574D+01 -0.106812D+01
               176           177           178           179           180 
      1   0.101630D+01 -0.368403D+00  0.622484D+01  0.250372D-01  0.830896D+01
      2   0.576164D+00  0.207489D+00  0.212419D+01 -0.119955D+01  0.417675D+01
      3  -0.494865D+01 -0.854809D+00 -0.964488D+01 -0.132830D+01 -0.507363D+01
               181           182           183           184           185 
      1  -0.327173D+00  0.724411D+00  0.232135D+01  0.181916D+01 -0.311227D+01
      2   0.223728D+00 -0.135753D+00  0.111183D+01  0.103415D+00 -0.200344D+01
      3  -0.291014D+01  0.312950D+01  0.105714D+01  0.433059D+01  0.409443D+01
               186           187           188           189           190 
      1  -0.640196D+01  0.155142D+01 -0.115499D+01 -0.664312D+01  0.140579D+01
      2  -0.225267D+01 -0.489531D+00 -0.170462D+01 -0.239175D+01 -0.443737D+01
      3   0.438757D+00  0.221545D+00  0.407342D+01 -0.174109D+00  0.831069D+01
               191           192           193           194           195 
      1  -0.932811D+00 -0.782047D+00 -0.112125D+01  0.122990D+01  0.207853D+00
      2   0.252143D+01  0.466686D+01  0.350566D+01 -0.381424D+01 -0.454254D+01
      3  -0.502524D+01 -0.350303D+01 -0.447213D+01  0.110601D+02  0.473534D+01
               196           197           198           199           200 
      1  -0.139548D+01  0.264747D+01  0.286984D+01 -0.148882D+01  0.119111D+00
      2   0.472751D+01 -0.363201D+01 -0.885500D+01  0.276587D+01  0.129331D+01
      3  -0.584202D+01  0.779144D+01  0.507044D+01  0.310393D+01 -0.414005D+01
               201           202           203           204           205 
      1  -0.265503D+01 -0.482223D+00  0.330205D+00 -0.144630D+01 -0.723880D+00
      2   0.607026D+01  0.224144D+01  0.940399D+00  0.259185D+01  0.196190D+01
      3   0.432038D+00 -0.293867D+01 -0.428214D+01 -0.105897D+01 -0.274240D+01
               206           207           208           209           210 
      1   0.130435D+01 -0.297436D+01 -0.203449D+01  0.258793D+01  0.301531D+01
      2   0.883900D+00  0.640822D+01  0.129317D+01 -0.167538D+01 -0.817120D+00
      3  -0.302580D+01  0.167122D+00 -0.839915D+01  0.450962D+01  0.363136D+01
               211           212           213           214           215 
      1   0.165116D+01 -0.520839D+01 -0.528184D+01  0.155641D+01 -0.481624D+01
      2  -0.121191D+01  0.341635D+01  0.229130D+01 -0.266689D+01  0.344276D+01
      3   0.502894D+01 -0.109532D+02 -0.461176D+01  0.592311D+01 -0.769049D+01
               216           217           218           219           220 
      1  -0.773794D+01  0.192818D+01  0.212597D+01 -0.341011D+01  0.137185D+01
      2   0.509437D+01 -0.407275D+00 -0.152988D+01  0.311016D+01 -0.706358D+00
      3  -0.505359D+01  0.558979D+01  0.568137D+00 -0.914044D+00  0.175706D+01
               221           222           223           224           225 
      1   0.134071D+01 -0.441046D+01 -0.161365D+01 -0.133843D+01  0.540502D+01
      2  -0.168440D+01  0.346976D+01 -0.657700D+00  0.145886D+01 -0.457262D+01
      3  -0.438925D+01  0.699597D+00 -0.364663D+01 -0.183979D+01 -0.171094D+00
               226           227           228           229           230 
      1   0.609177D+00  0.434903D+01  0.626545D-01  0.887331D+00 -0.189789D+01
      2  -0.649510D+01  0.461528D+01 -0.244224D+01  0.402589D+01 -0.385162D+01
      3  -0.811268D+01  0.628832D+01 -0.401648D+01  0.593212D+01 -0.566999D+01
               231           232           233           234           235 
      1  -0.112497D+01  0.939637D+00 -0.799225D+00  0.158530D+01  0.216064D+01
      2   0.284638D+01 -0.248289D+01  0.184309D+01 -0.262811D+01  0.859607D+00
      3   0.305856D+01 -0.120264D+01  0.198382D+01 -0.299979D+01  0.190876D+01
               236           237           238           239           240 
      1  -0.125048D+01 -0.361662D+01 -0.194702D+01 -0.671501D+00  0.510932D+01
      2   0.526642D+00  0.343819D+00 -0.160709D+01 -0.170992D+01 -0.532469D-01
      3  -0.936017D+00 -0.227955D+01 -0.199700D+01 -0.258390D+01  0.252033D+01
               241           242           243           244           245 
      1  -0.298281D+01  0.120928D+01  0.120621D+02 -0.188921D+01  0.295597D+01
      2  -0.172904D+01  0.117127D-01 -0.276244D+01  0.126315D+00  0.403788D+00
      3  -0.246647D+01 -0.351073D-01  0.260888D+01  0.272947D+01 -0.444003D+01
               246           247           248           249           250 
      1  -0.173159D+01  0.444898D+01 -0.847984D+01  0.292290D+01 -0.935954D+00
      2   0.159508D+01  0.360907D+01  0.139179D+01 -0.115072D+01  0.788586D+00
      3   0.189254D+01 -0.482189D+01  0.110890D+02 -0.468472D+01  0.158451D+01
               251           252           253           254           255 
      1   0.249710D+01 -0.211792D+01 -0.207759D+01 -0.112471D+01 -0.110896D+01
      2  -0.186052D+01  0.221913D+01 -0.735302D+00 -0.743442D+00 -0.381322D+01
      3  -0.168774D+01  0.300495D+01  0.301845D+01  0.648830D+00  0.182790D+01
               256           257           258           259           260 
      1   0.114434D+01  0.168433D+01  0.945494D+00  0.336078D+00  0.245484D+01
      2  -0.621084D+00  0.240114D+01  0.475016D+01 -0.436553D+00  0.262212D+01
      3  -0.438368D+00 -0.232135D+01 -0.286360D+01 -0.727638D+00 -0.234632D+01
               261           262           263           264           265 
      1   0.530749D+00 -0.539162D+01 -0.335702D+01  0.369294D+01 -0.213535D+01
      2   0.123580D+02  0.721527D+01  0.201467D+00 -0.979800D+00  0.350953D+01
      3  -0.260472D+01 -0.115979D+02 -0.392935D+01  0.465665D+01 -0.430975D+01
               266           267           268           269           270 
      1  -0.298606D+01  0.342582D+00  0.304505D+01  0.128008D+01 -0.305743D+01
      2  -0.884364D+00 -0.789268D+00 -0.405439D+00 -0.226341D+00 -0.431651D-01
      3  -0.227564D+01  0.192871D+01  0.231209D+01  0.260054D-01 -0.302027D+01
               271           272           273           274           275 
      1  -0.124657D+01  0.960484D+00 -0.329435D+01 -0.532201D+00 -0.280279D+00
      2  -0.968124D+00 -0.326943D+01 -0.530174D+01 -0.155017D+01  0.359255D-01
      3  -0.178514D+00  0.320581D+01  0.332979D+01  0.211814D+01 -0.468316D+00
               276           277           278           279           280 
      1  -0.540962D+00 -0.511504D+00  0.301216D+00 -0.842636D+01  0.443333D+01
      2  -0.357344D+00 -0.263900D+01 -0.246313D+01 -0.908446D+01  0.901696D+01
      3   0.708926D+00  0.120774D+01  0.214642D+01  0.261295D+01  0.130115D+02
               281           282           283           284           285 
      1  -0.286410D+01 -0.324563D+01 -0.819584D+00  0.204686D+01 -0.730911D+00
      2   0.133302D+01 -0.201325D+01 -0.152564D+01 -0.787015D+00  0.351792D+00
      3  -0.115471D+01 -0.498370D+01 -0.146797D+01  0.828104D+00  0.684460D+00
               286           287           288           289           290 
      1  -0.304098D+01  0.423703D+00  0.298055D+01  0.152125D+01  0.395709D+00
      2  -0.127959D+01  0.262168D+00  0.707018D+00 -0.166070D+01  0.294800D+01
      3  -0.225538D+01 -0.527133D+00  0.299483D+01 -0.105644D+01  0.281397D+01
               291           292           293           294           295 
      1   0.452160D+01 -0.608799D+00  0.350332D-01  0.566624D+00  0.116579D+01
      2  -0.417925D+01  0.982151D+00  0.126708D+01 -0.869105D+00 -0.292655D+01
      3  -0.337473D+01  0.173744D+01  0.177895D+01 -0.136642D+00 -0.165550D+01
               296           297           298           299           300 
      1  -0.459850D-01  0.104371D+02  0.201282D+00  0.942470D+00  0.606886D+00
      2   0.179120D+01 -0.663605D+01  0.129030D+01 -0.230741D+00  0.144463D+01
      3   0.182253D+01 -0.260145D+01 -0.104474D+01 -0.178089D+01 -0.649827D+00
               301           302           303           304           305 
      1   0.317266D+01  0.948661D+01  0.274617D+01  0.199752D+00  0.204368D+01
      2  -0.294829D+01  0.282454D+01  0.231664D+01  0.333202D+00  0.261961D+01
      3  -0.211069D+01 -0.128418D+02 -0.499605D+01 -0.111077D+01 -0.203623D+01
               306           307           308           309           310 
      1   0.150098D+01  0.196682D+01 -0.161945D+00  0.143783D+01  0.203032D+01
      2   0.268096D+01 -0.397745D+00 -0.132363D+00 -0.220341D+01  0.297734D+00
      3  -0.301996D+01 -0.270008D+01 -0.660121D+00 -0.104937D+01 -0.172636D+01
               311           312           313           314           315 
      1  -0.203522D+01  0.257291D+01 -0.959995D+00  0.290937D+01 -0.363706D+01
      2   0.213859D+01 -0.510555D+01 -0.679867D-01 -0.202076D+01  0.118178D+02
      3   0.208242D+01 -0.324501D+01  0.124279D+01 -0.212618D+01  0.262118D+01
               316           317           318           319           320 
      1  -0.632073D+00  0.449414D+01  0.648425D+00  0.992204D+00  0.449450D+01
      2  -0.457291D+01 -0.366351D+01 -0.152723D+01 -0.398052D+01 -0.519636D+01
      3   0.501918D+01  0.608581D+01  0.309901D+01  0.571426D+01  0.883815D+01
               321           322           323           324           325 
      1  -0.217548D+00 -0.208491D+00 -0.360657D+00 -0.867277D+00 -0.125886D+01
      2  -0.354797D+01 -0.208239D+01 -0.258564D+01 -0.294782D+01  0.106691D+00
      3   0.398390D+01  0.678841D+00  0.221703D+01  0.300348D+01 -0.894712D+00
               326           327           328           329           330 
      1  -0.165242D+01  0.204009D+01 -0.291691D+01  0.504804D-02  0.564040D+01
      2  -0.409138D+00  0.875771D+00  0.148863D+01 -0.129531D+01  0.160826D+01
      3  -0.183505D+01  0.156381D+01 -0.290907D+01  0.158579D+01  0.301455D+01
               331           332           333 
      1   0.291883D+01  0.195784D+01 -0.109524D+02
      2  -0.960317D+00  0.551889D-01 -0.572737D+01
      3   0.239032D+01  0.577461D+00 -0.261314D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.332863D+01 -0.420127D+01  0.155921D+00 -0.100398D+01  0.535823D+01
      2  -0.492013D+01 -0.111339D+01  0.131151D+02  0.268018D+00 -0.125147D+02
      3   0.159149D+01  0.531467D+01 -0.132711D+02  0.735962D+00  0.715646D+01
      4  -0.987135D+01 -0.175832D+02  0.189874D+02 -0.915389D+01 -0.160554D+02
      5   0.765262D+01  0.146154D+02 -0.352411D+01  0.144264D+02  0.657045D+01
      6   0.106210D+02  0.184552D+02 -0.994234D+00  0.174492D+02  0.161249D+01
                 6             7             8             9            10 
      1   0.153159D+02 -0.350360D+01  0.157023D+02  0.748826D+01 -0.225464D+02
      2  -0.900791D+01  0.151434D+02 -0.980703D+01 -0.118434D+02  0.142086D+02
      3  -0.630799D+01 -0.116398D+02 -0.589527D+01  0.435512D+01  0.833776D+01
      4   0.156349D+02  0.213041D+02  0.207133D+02 -0.897369D+01 -0.152481D+02
      5  -0.887613D+01 -0.335902D+01 -0.109009D+02  0.225658D+01 -0.147392D+02
      6  -0.103479D+02 -0.273835D+01 -0.152638D+02  0.146061D+01 -0.105424D+02
                11            12            13            14            15 
      1  -0.922673D+00 -0.645925D+01 -0.667351D+01 -0.629752D+01 -0.209162D+02
      2   0.201503D+01 -0.313543D+01  0.321913D+01  0.586734D+01  0.980455D+01
      3  -0.109236D+01  0.959469D+01  0.345438D+01  0.430181D+00  0.111116D+02
      4  -0.582081D+01 -0.224071D+02 -0.134628D+02 -0.419015D+00 -0.732123D+01
      5  -0.199784D+02 -0.123883D+02 -0.209477D+02 -0.811093D+00  0.144827D+01
      6  -0.765634D+01 -0.644823D+01 -0.755028D+01  0.758473D-01 -0.148519D+01
                16            17            18            19            20 
      1  -0.899438D+01 -0.231468D+02 -0.150675D+02  0.857287D+01  0.353056D+01
      2   0.230718D+00  0.134838D+02  0.107208D+02 -0.518166D+01 -0.720950D+01
      3   0.876366D+01  0.966297D+01  0.434671D+01 -0.339121D+01  0.367894D+01
      4  -0.270319D+02 -0.661875D+01 -0.278283D+01  0.195993D+02  0.578530D+00
      5  -0.179193D+02  0.126611D+01 -0.199247D+01  0.974388D+01  0.119882D+02
      6  -0.691802D+01 -0.719022D+00 -0.178143D+01  0.405902D+01 -0.721681D+00
                21            22            23            24            25 
      1   0.302163D+01  0.633927D+01 -0.211710D+01  0.122573D+02 -0.172144D+01
      2  -0.167036D+01 -0.633545D+01  0.266071D+01 -0.214060D+01  0.182004D-01
      3  -0.135127D+01 -0.381820D-02 -0.543609D+00 -0.101168D+02  0.170324D+01
      4   0.141937D+02  0.552108D+01  0.852771D+01  0.107776D+01  0.670408D+01
      5   0.590112D+01  0.114212D+02 -0.424281D+01  0.175514D+01  0.289194D+01
      6   0.443342D+01 -0.160471D+01  0.142256D+01 -0.299938D+01  0.267908D+01
                26            27            28            29            30 
      1   0.103156D+02  0.755682D+01 -0.124901D+02 -0.311417D-01  0.458997D+01
      2  -0.295668D+01  0.136480D+01  0.209249D+01  0.199572D-01 -0.460071D+01
      3  -0.735896D+01 -0.892162D+01  0.103976D+02  0.111846D-01  0.107395D-01
      4  -0.587250D+00  0.316247D+00 -0.287495D-01 -0.726057D+01  0.183088D+01
      5  -0.484763D+00 -0.435531D+01  0.226727D+01  0.909738D+00 -0.140820D+01
      6  -0.227996D+01 -0.589603D+01  0.908952D+00 -0.231663D+01  0.353646D-01
                31            32            33            34            35 
      1  -0.363969D-01  0.210086D+01  0.182480D+01  0.744493D+01  0.300993D+01
      2   0.696166D-01 -0.124740D+02 -0.182861D+01 -0.744304D+01 -0.301785D+01
      3  -0.332198D-01  0.103731D+02  0.380974D-02 -0.189644D-02  0.792304D-02
      4  -0.731468D+01 -0.380519D-04 -0.460813D+01  0.307141D+01 -0.742010D+01
      5   0.839188D+00 -0.228466D+01 -0.519334D-01  0.496268D+01 -0.300426D-01
      6  -0.228235D+01 -0.926742D+00 -0.141520D+01 -0.478635D-01  0.489616D+01
                36            37            38            39            40 
      1  -0.138976D+00  0.436956D+01 -0.224075D+01 -0.101137D+01 -0.579051D+01
      2  -0.205258D+00 -0.454462D+01  0.324604D+01 -0.910056D+01  0.309099D+01
      3   0.344234D+00  0.175060D+00 -0.100530D+01  0.101119D+02  0.269951D+01
      4  -0.284292D-01  0.992800D+01  0.107460D+02 -0.792275D+01  0.609041D+01
      5   0.236803D-01 -0.169564D+01 -0.274879D+01 -0.837254D+00 -0.379624D+01
      6   0.369130D-01 -0.230166D+01 -0.130002D+02  0.354630D+01 -0.133655D+02
                41            42            43            44            45 
      1   0.811928D+01 -0.585306D+01  0.139441D+01 -0.382904D+01  0.195858D+01
      2  -0.400245D+01  0.724128D+01 -0.802679D+01  0.743147D+01  0.698515D+01
      3  -0.411682D+01 -0.138822D+01  0.663238D+01 -0.360243D+01 -0.894373D+01
      4   0.164802D+02 -0.116766D+02 -0.422764D+01 -0.439396D+01  0.187520D+01
      5  -0.501470D+01  0.626048D+01 -0.138362D+01  0.383792D+01  0.682519D+01
      6  -0.146240D+01  0.366455D+01  0.714382D+00  0.199036D+01  0.262847D+01
                46            47            48            49            50 
      1   0.190317D+02  0.126358D+01  0.123334D+02 -0.379317D+01  0.562466D+00
      2  -0.167483D+02  0.288912D+01 -0.845143D+01  0.423158D+01  0.110039D+01
      3  -0.228333D+01 -0.415269D+01 -0.388200D+01 -0.438414D+00 -0.166286D+01
      4  -0.132563D+02 -0.335784D+01 -0.101905D+02  0.426973D+00 -0.904303D+01
      5   0.148955D+02 -0.651563D+01  0.679096D+01 -0.566921D+01 -0.825036D+01
      6   0.466978D+00 -0.291106D+01 -0.188154D+01 -0.367070D+01 -0.438376D+01
                51            52            53            54            55 
      1  -0.899018D+01  0.394732D+01 -0.846146D+01  0.731827D+01 -0.301863D+02
      2  -0.454538D+00 -0.372703D+01  0.909941D+00  0.160449D+01  0.218004D+02
      3   0.944472D+01 -0.220292D+00  0.755152D+01 -0.892276D+01  0.838587D+01
      4  -0.537835D+01 -0.510616D+01 -0.525693D+01  0.124753D+01  0.715950D+01
      5   0.852461D+00  0.308418D+01  0.189245D+01 -0.570245D+01 -0.265627D+02
      6  -0.399551D+01 -0.124950D+01 -0.250076D+01  0.460593D+01  0.710160D+01
                56            57            58            59            60 
      1  -0.285955D+01 -0.224159D+02  0.624172D+01 -0.319661D+01  0.174418D+02
      2  -0.329847D+00  0.102987D+02 -0.486694D+01  0.281043D+01 -0.911529D+01
      3   0.318939D+01  0.121172D+02 -0.137478D+01  0.386171D+00 -0.832651D+01
      4  -0.181364D+01  0.178028D+02 -0.677994D+01 -0.553231D+01  0.588297D+01
      5   0.145053D+02 -0.129108D+02  0.154375D+02  0.886710D+01 -0.442443D+01
      6  -0.400502D+00  0.344685D+01 -0.515397D-01 -0.911148D+00 -0.950922D+00
                61            62            63            64            65 
      1  -0.270763D+02  0.177651D+02 -0.147603D+02 -0.663092D+01  0.118854D+02
      2   0.161490D+02 -0.106425D+02  0.104166D+02  0.318541D+01 -0.560832D+01
      3   0.109274D+02 -0.712262D+01  0.434365D+01  0.344552D+01 -0.627703D+01
      4   0.197658D+02  0.854726D+01 -0.388155D+01  0.165925D+02 -0.149974D+02
      5  -0.181934D+02 -0.582052D+01 -0.240803D+01  0.189931D+02 -0.156075D+02
      6   0.234336D+01 -0.443435D+00  0.122001D+01 -0.145011D+02  0.102973D+02
                66            67            68            69            70 
      1   0.153991D+02  0.470756D+01  0.869660D+00 -0.181265D+02  0.140182D+02
      2  -0.961678D+00 -0.297492D+01 -0.620654D+01  0.153949D+02 -0.126240D+01
      3  -0.144375D+02 -0.173264D+01  0.533688D+01  0.273159D+01 -0.127558D+02
      4  -0.210190D+02 -0.815534D+01  0.124373D+02  0.239240D+01 -0.253540D+02
      5  -0.639754D+01 -0.151932D+02 -0.215790D+01  0.990561D+01 -0.750815D+01
      6   0.203238D+01  0.938362D+01  0.629186D+01 -0.747295D+01  0.477273D+01
                71            72            73            74            75 
      1  -0.213735D+02  0.182112D+01  0.940381D+01 -0.497369D+01 -0.798628D+01
      2   0.186353D+02 -0.615825D+01 -0.973265D+01  0.283305D+01 -0.145530D+01
      3   0.273815D+01  0.433714D+01  0.328840D+00  0.214065D+01  0.944158D+01
      4   0.550064D+01  0.125525D+02 -0.112606D+02  0.107852D+02  0.104183D+02
      5   0.129373D+02  0.255052D+01 -0.563170D+01  0.590761D+01  0.188223D+01
      6  -0.111385D+02 -0.850452D+00  0.757835D+01 -0.997095D+01 -0.405378D+01
                76            77            78            79            80 
      1   0.634735D+00  0.147037D+02  0.904231D+01 -0.254757D+01  0.475934D+01
      2   0.905813D+00 -0.104322D+02 -0.129404D+02 -0.296873D+01 -0.991741D+01
      3  -0.154055D+01 -0.427150D+01  0.389810D+01  0.551630D+01  0.515807D+01
      4   0.754436D+01 -0.661802D+01 -0.449563D+01  0.603138D+01  0.514129D+00
      5   0.699201D+01 -0.184976D+01 -0.674656D+01 -0.267643D-01 -0.436496D+01
      6  -0.100552D+02 -0.559692D+01  0.963475D+00 -0.121104D+01  0.608968D+00
                81            82            83            84            85 
      1   0.320718D+01 -0.352059D+01 -0.870990D+00  0.685279D+01 -0.374115D+01
      2   0.570764D+01  0.633329D+01  0.117892D+01  0.123338D+01  0.772545D+01
      3  -0.891482D+01 -0.281270D+01 -0.307925D+00 -0.808617D+01 -0.398430D+01
      4  -0.284237D+01 -0.879257D+01  0.104230D+00  0.745462D+01 -0.153227D+01
      5   0.729645D+01  0.812248D+01  0.162381D+01 -0.342986D+01  0.117886D+01
      6  -0.814822D+00  0.786880D+01 -0.149557D+01  0.365938D+01 -0.537586D+00
                86            87            88            89            90 
      1  -0.210501D+02  0.107795D+02  0.383870D+01  0.497135D+01  0.264540D+01
      2   0.221467D+02 -0.169966D+02  0.338192D+01 -0.717110D+01  0.629816D+01
      3  -0.109661D+01  0.621711D+01 -0.722063D+01  0.219974D+01 -0.894356D+01
      4  -0.141404D+01  0.156602D+01  0.728835D+01  0.551392D+00  0.252033D+01
      5  -0.609005D+01  0.977930D+00 -0.193853D+01  0.116663D+00 -0.292777D+01
      6  -0.153117D+02  0.631219D+01  0.326858D+01  0.253778D+01  0.672305D+01
                91            92            93            94            95 
      1  -0.113639D+01 -0.122925D+01 -0.347580D+00  0.488426D+01  0.225721D+02
      2  -0.236438D+00  0.686708D+00 -0.448931D+01 -0.999181D+01 -0.299618D+02
      3   0.137283D+01  0.542544D+00  0.483689D+01  0.510755D+01  0.738975D+01
      4  -0.760475D+01 -0.283874D+01 -0.132231D+02 -0.201921D+01 -0.571078D+01
      5  -0.323287D+01 -0.308695D+01 -0.204511D+01 -0.250830D+01  0.193591D+01
      6  -0.136264D+02 -0.368758D+01 -0.742917D+01 -0.287305D+01  0.323226D+02
                96            97            98            99           100 
      1  -0.175961D+02 -0.191791D+01 -0.235044D+02  0.669652D+01 -0.334771D+01
      2   0.314461D+02 -0.207066D+01  0.359203D+02 -0.110521D+02  0.208930D+00
      3  -0.138500D+02  0.398857D+01 -0.124159D+02  0.435554D+01  0.313878D+01
      4  -0.366813D+01 -0.156218D+02 -0.201198D+01 -0.977759D+01  0.894947D+01
      5   0.474649D+00 -0.256357D+01 -0.193959D+01 -0.550273D+00 -0.724174D+01
      6  -0.118485D+02 -0.101308D+02 -0.160743D+02  0.259655D+01  0.107708D+02
               101           102           103           104           105 
      1  -0.268545D+01 -0.110070D+02 -0.812730D+01  0.149009D+02  0.138784D+02
      2   0.433928D+01  0.986314D+01  0.143570D+02 -0.205268D+02 -0.285249D+02
      3  -0.165383D+01  0.114385D+01 -0.622967D+01  0.562589D+01  0.146465D+02
      4  -0.432650D+01  0.985527D+01 -0.774663D+01  0.153391D+02  0.117589D+02
      5  -0.645569D+00 -0.439265D+01 -0.140768D+01  0.107470D+02  0.147114D+01
      6   0.815027D+01  0.938332D+01  0.877762D+01 -0.291906D+02 -0.946168D+01
               106           107           108           109           110 
      1  -0.145408D+02  0.175085D+02  0.715830D+00 -0.906696D+01  0.328807D+01
      2   0.138419D+02 -0.305260D+02 -0.506270D+01  0.128286D+02 -0.288438D+01
      3   0.698854D+00  0.130175D+02  0.434687D+01 -0.376164D+01 -0.403690D+00
      4   0.991460D+01  0.159049D+02  0.128660D+02  0.379422D+01  0.405142D+01
      5  -0.641976D+01  0.446911D+01  0.120335D+00  0.910599D+01  0.375753D+01
      6   0.126662D+02 -0.121992D+02 -0.264005D+01 -0.367278D+01 -0.633345D+01
               111           112           113           114           115 
      1   0.122998D+02  0.638109D+01 -0.171183D+02 -0.684637D+01  0.828970D+01
      2  -0.604302D+01 -0.968788D+01  0.172783D+02  0.149297D+02 -0.185944D+01
      3  -0.625674D+01  0.330679D+01 -0.160001D+00 -0.808329D+01 -0.643026D+01
      4  -0.356482D+01  0.495360D+01 -0.793468D+01 -0.657093D+01 -0.536940D+01
      5  -0.168115D+01  0.399691D+01 -0.903264D+01 -0.302123D+01 -0.782648D+00
      6  -0.576570D+01 -0.525480D+01  0.114007D+02  0.454229D+01 -0.415322D+01
               116           117           118           119           120 
      1  -0.240761D+01  0.413285D+01 -0.411684D+01 -0.718661D+01  0.188131D+01
      2   0.637477D+01  0.480325D+01  0.512064D+01  0.647727D+01 -0.302204D+01
      3  -0.396716D+01 -0.893610D+01 -0.100379D+01  0.709339D+00  0.114073D+01
      4  -0.399290D+01 -0.309417D+01 -0.244475D+01  0.411624D+01  0.350862D-01
      5  -0.998238D+00 -0.111181D+01  0.550374D+00  0.137834D+01  0.738686D+00
      6   0.141415D+01 -0.725704D+01 -0.198872D+01 -0.221145D+01  0.130175D+01
               121           122           123           124           125 
      1  -0.578313D+01 -0.154245D+02  0.672853D+01  0.365011D+01  0.112394D+02
      2   0.141002D+01  0.286484D+02 -0.990174D+01 -0.161998D+01 -0.151734D+02
      3   0.437311D+01 -0.132239D+02  0.317321D+01 -0.203013D+01  0.393396D+01
      4   0.867303D+01 -0.208342D+02  0.542793D+01 -0.237821D+01  0.105008D+02
      5   0.112124D+00  0.665635D+01 -0.640031D+01  0.317833D+01 -0.902162D+01
      6  -0.626415D+00 -0.107172D+02  0.898398D+01 -0.139461D+01  0.124605D+02
               126           127           128           129           130 
      1  -0.635043D+01  0.359667D+02 -0.144110D+02 -0.115156D+02 -0.752305D+01
      2   0.763987D+01 -0.144041D+02  0.147495D+01  0.469886D+01 -0.368439D+01
      3  -0.128944D+01 -0.215626D+02  0.129361D+02  0.681679D+01  0.112074D+02
      4  -0.753247D+01 -0.350938D+02  0.242634D+02  0.146125D+02  0.232929D+02
      5   0.934365D+01 -0.211939D+02  0.118768D+02  0.143703D+02  0.957672D+01
      6  -0.115841D+02  0.111862D+02 -0.718552D+01 -0.724310D+01 -0.793536D+01
               131           132           133           134           135 
      1   0.482445D+01  0.284812D+01 -0.144822D+02  0.687399D+01  0.680340D+01
      2   0.702786D+01  0.117119D+01  0.671503D+01 -0.172859D+01 -0.419747D+01
      3  -0.118523D+02 -0.401931D+01  0.776720D+01 -0.514540D+01 -0.260593D+01
      4  -0.245749D+02 -0.108245D+02  0.210581D+02 -0.166882D+02 -0.163329D+02
      5  -0.955020D+01 -0.763820D+01  0.201972D+02 -0.138747D+02 -0.187324D+02
      6   0.776090D+01  0.783224D+01 -0.116943D+02  0.115313D+02  0.122195D+02
               136           137           138           139           140 
      1   0.229886D+02  0.906200D+01 -0.458119D+01  0.154527D+02  0.758544D+01
      2  -0.133062D+02 -0.480327D+01  0.313942D+01 -0.753918D+01 -0.306551D+01
      3  -0.968239D+01 -0.425873D+01  0.144177D+01 -0.791357D+01 -0.451993D+01
      4   0.804354D+01  0.707397D+01 -0.414692D+01  0.102645D+02  0.184122D+02
      5  -0.555765D+01 -0.425305D+01  0.744751D+01 -0.625055D+01 -0.853128D+01
      6  -0.145467D+01 -0.802906D+00  0.251888D+00 -0.101196D+01 -0.236971D+01
               141           142           143           144           145 
      1  -0.542022D+01 -0.112842D+02 -0.646373D+01  0.823869D+01  0.677844D+02
      2   0.238027D+01  0.706906D+01  0.513535D+01 -0.694787D+01 -0.390506D+02
      3   0.303995D+01  0.421517D+01  0.132838D+01 -0.129082D+01 -0.287338D+02
      4  -0.755693D+01 -0.744259D+01 -0.111168D+02  0.692494D+01 -0.173184D+02
      5   0.793922D+01  0.130616D+02  0.840405D+01 -0.147902D+02  0.304374D+02
      6   0.227280D+01  0.773335D+00  0.256247D+01 -0.151782D+01 -0.651537D+01
               146           147           148           149           150 
      1  -0.693447D+01  0.217524D+02 -0.872491D+01  0.837195D+01 -0.371656D+01
      2   0.284261D+01 -0.140992D+02  0.290018D+01 -0.369593D+01  0.170559D+01
      3   0.409187D+01 -0.765327D+01  0.582474D+01 -0.467602D+01  0.201097D+01
      4   0.102179D+02 -0.645758D+01  0.162447D+02 -0.727939D+01  0.518804D+01
      5  -0.488185D+01  0.185174D+02 -0.597073D+01  0.467290D+01 -0.313292D+01
      6   0.186764D+01 -0.353057D+01  0.402878D+01 -0.197742D+01  0.368787D+01
               151           152           153           154           155 
      1   0.311425D+02 -0.410683D+01  0.175858D+02  0.580395D+01 -0.416103D+01
      2  -0.220245D+02  0.221571D+01 -0.149842D+02  0.213915D+01  0.125354D+02
      3  -0.911810D+01  0.189112D+01 -0.260161D+01 -0.794310D+01 -0.837440D+01
      4  -0.107404D+02  0.452119D+01 -0.563647D+01  0.245107D+02  0.123726D+02
      5   0.286094D+02 -0.334727D+01  0.218698D+02  0.557437D+01  0.189497D+01
      6  -0.553337D+01  0.311522D+01 -0.469933D+01  0.989011D+01  0.444876D+01
               156           157           158           159           160 
      1   0.178627D+01 -0.366665D+01 -0.552988D+01 -0.101983D+01  0.726856D+00
      2   0.152800D+01  0.838792D+01  0.117678D+02  0.162636D+01  0.165509D+01
      3  -0.331427D+01 -0.472126D+01 -0.623795D+01 -0.606526D+00 -0.238194D+01
      4   0.966385D+01  0.731139D+01  0.101364D+02  0.310556D+01  0.150070D+02
      5   0.472296D+01  0.116091D+01  0.183722D+01  0.100241D+01  0.563059D+01
      6   0.869492D+01  0.255784D+01  0.273607D+01  0.501952D+01  0.104491D+02
               161           162           163           164           165 
      1  -0.232549D+01 -0.238880D+01 -0.441529D+01  0.495556D+00  0.995583D-01
      2   0.605654D+01  0.366831D+01  0.824051D+01  0.491467D+00 -0.181023D+00
      3  -0.373106D+01 -0.127951D+01 -0.382522D+01 -0.987023D+00  0.814644D-01
      4   0.739586D+01  0.983699D+01  0.229117D+01  0.137574D+02 -0.392024D+01
      5   0.281160D+01  0.537500D+01 -0.215838D+00 -0.272813D+01  0.302584D+01
      6   0.100182D+02  0.139198D+02 -0.378584D+01 -0.644045D+00  0.110968D+01
               166           167           168           169           170 
      1  -0.249344D+01 -0.425794D+02  0.154038D+02  0.233567D+01  0.240192D+02
      2   0.520717D+01  0.721570D+02 -0.233116D+02 -0.291443D+01 -0.333135D+02
      3  -0.271373D+01 -0.295776D+02  0.790777D+01  0.578754D+00  0.929436D+01
      4   0.903207D+01  0.677136D+01 -0.261034D+01 -0.333374D+01 -0.350646D+01
      5  -0.930298D+00 -0.847068D+00  0.701073D+00  0.262942D+01  0.156706D+01
      6  -0.225406D+01 -0.323026D+02  0.191726D+02  0.375776D+01  0.290810D+02
               171           172           173           174           175 
      1  -0.155785D+02  0.174222D+02  0.144761D+01  0.648470D+01  0.372663D+01
      2   0.181844D+02 -0.638153D+01 -0.855217D+01 -0.313272D+01 -0.717559D+01
      3  -0.260588D+01 -0.110407D+02  0.710457D+01 -0.335198D+01  0.344895D+01
      4   0.343138D+01 -0.258915D+02  0.114987D+02 -0.891506D+01  0.593964D+01
      5  -0.122875D+01  0.871187D+01 -0.130703D+01  0.712239D+01 -0.127715D+00
      6  -0.223117D+02 -0.922897D+01  0.195003D+01 -0.813566D+01  0.327818D+00
               176           177           178           179           180 
      1   0.813275D+00  0.100858D+01  0.836589D+01  0.300221D+00  0.284750D+01
      2   0.229239D+01 -0.740644D+00 -0.511907D+01 -0.330578D+01 -0.156829D+01
      3  -0.310566D+01 -0.267941D+00 -0.324683D+01  0.300555D+01 -0.127921D+01
      4  -0.756607D+01  0.112818D+01 -0.150065D+02  0.484428D+01 -0.100441D+02
      5   0.167063D+01 -0.444631D+00  0.917469D+01 -0.302094D+01  0.873756D+01
      6  -0.109164D+01  0.259833D+01 -0.106650D+02  0.646259D+01 -0.120989D+02
               181           182           183           184           185 
      1  -0.198194D+01  0.597444D+00  0.117325D+01  0.540499D+01 -0.323355D+02
      2   0.838871D+01 -0.768771D+01 -0.326509D+01 -0.142213D+02  0.593672D+02
      3  -0.640677D+01  0.709026D+01  0.209183D+01  0.881634D+01 -0.270317D+02
      4  -0.123296D+02  0.177147D+02  0.636269D+01  0.154929D+02 -0.269061D+02
      5  -0.272932D+01  0.445858D+01  0.451143D+01  0.312694D+01 -0.746881D+01
      6   0.583499D+01 -0.655669D+01 -0.496615D+01 -0.856161D+01  0.287820D+02
               186           187           188           189           190 
      1  -0.117002D+02  0.507270D+01 -0.178773D+02 -0.116992D+02  0.315372D+02
      2   0.193312D+02 -0.799671D+01  0.267240D+02  0.143094D+02 -0.192051D+02
      3  -0.763107D+01  0.292401D+01 -0.884671D+01 -0.261019D+01 -0.123321D+02
      4  -0.105165D+02  0.841388D+01 -0.155196D+02 -0.112835D+02 -0.537965D+00
      5  -0.455134D+01  0.564534D+01 -0.772249D+01 -0.685486D+01 -0.856350D+01
      6   0.176675D+02 -0.991282D+01  0.260437D+02  0.212461D+02 -0.230042D+00
               191           192           193           194           195 
      1  -0.750243D+01 -0.812657D+01 -0.148937D+02  0.893411D+01  0.679214D+01
      2   0.530962D+01  0.594896D+01  0.903540D+01 -0.708626D+01 -0.422009D+01
      3   0.219281D+01  0.217761D+01  0.585825D+01 -0.184784D+01 -0.257205D+01
      4   0.613223D+01  0.283527D+01  0.663981D+01 -0.109636D+02 -0.409179D+01
      5   0.439199D+01  0.912158D+01  0.638171D+01 -0.606215D+01 -0.614921D+01
      6   0.209529D+00  0.154253D+01  0.510886D+00  0.343272D+00  0.597439D+00
               196           197           198           199           200 
      1  -0.161720D+02  0.729802D+01  0.106551D+02  0.489839D+02  0.130780D+02
      2   0.117449D+02 -0.710254D+01 -0.936916D+01 -0.242291D+02 -0.371820D+01
      3   0.442710D+01 -0.195482D+00 -0.128592D+01 -0.247548D+02 -0.935981D+01
      4   0.360990D+01 -0.614343D+01 -0.231587D+01  0.323028D+02  0.173323D+02
      5   0.146390D+02 -0.524992D+01 -0.147337D+02  0.240447D+02  0.949841D+01
      6   0.238735D+01  0.991719D+00 -0.229874D+01  0.112437D+02  0.518305D+01
               201           202           203           204           205 
      1   0.155329D+02  0.117702D+02  0.745288D+01  0.491324D+01  0.213301D+02
      2  -0.863808D+01 -0.690088D+00  0.120192D+01 -0.103257D+01 -0.129905D+02
      3  -0.689482D+01 -0.110801D+02 -0.865480D+01 -0.388068D+01 -0.833962D+01
      4   0.124675D+02  0.230203D+02  0.182938D+02  0.931167D+01  0.202811D+02
      5   0.159245D+02  0.998767D+01  0.775130D+01  0.633244D+01  0.247825D+02
      6   0.673949D+01  0.754291D+01  0.586947D+01  0.627293D+01  0.112119D+02
               206           207           208           209           210 
      1   0.712772D+01  0.127169D+02 -0.718355D+01  0.836886D+01  0.364350D+01
      2  -0.298265D+01 -0.101142D+02  0.771759D+01 -0.109917D+02 -0.554927D+01
      3  -0.414507D+01 -0.260265D+01 -0.534039D+00  0.262280D+01  0.190576D+01
      4   0.110002D+02  0.128996D+02 -0.365430D+01  0.404208D+01  0.980045D+00
      5   0.902834D+01  0.199490D+02  0.450963D+00 -0.162922D+01  0.205323D-01
      6   0.693349D+01  0.100884D+02  0.348023D+01 -0.472866D+01 -0.364661D+01
               211           212           213           214           215 
      1   0.514503D+01 -0.203458D+02 -0.765932D+01  0.580058D+01 -0.136784D+02
      2  -0.411467D+01  0.340051D+02  0.104309D+02 -0.483352D+01  0.179955D+02
      3  -0.103037D+01 -0.136593D+02 -0.277157D+01 -0.967061D+00 -0.431705D+01
      4   0.639867D+01  0.108192D+02  0.929356D+00  0.257632D+01  0.343969D+01
      5  -0.807363D+00  0.330764D+01  0.404561D+01  0.122301D+01  0.608921D+01
      6  -0.287722D+01  0.106570D+02  0.971265D+01 -0.154256D+01  0.144236D+02
               216           217           218           219           220 
      1  -0.915358D+01  0.146833D+02  0.718114D+01 -0.383737D+01  0.154653D+01
      2   0.104451D+02  0.319855D+00  0.658587D+01 -0.173228D+01  0.104844D+02
      3  -0.129149D+01 -0.150031D+02 -0.137670D+02  0.556965D+01 -0.120309D+02
      4   0.314255D+01  0.301511D+02  0.274793D+02 -0.136646D+02  0.236603D+02
      5   0.610206D+01 -0.128349D+02 -0.111248D+02  0.102950D+02 -0.870778D+01
      6   0.135840D+02 -0.108695D+02 -0.102138D+02  0.789118D+01 -0.103490D+02
               221           222           223           224           225 
      1  -0.631797D+01  0.165878D+01 -0.315929D+01  0.111677D+01 -0.193953D+01
      2   0.247213D+02 -0.727587D+01 -0.304731D+01 -0.806670D+01  0.454528D+01
      3  -0.184033D+02  0.561710D+01  0.620660D+01  0.694993D+01 -0.260574D+01
      4   0.336520D+02 -0.137605D+02 -0.185481D+02 -0.220851D+02  0.169280D+02
      5  -0.120894D+02  0.828611D+01  0.133494D+02  0.143572D+02 -0.150127D+02
      6  -0.152676D+02  0.119137D+02  0.121689D+02  0.183758D+02 -0.165779D+02
               226           227           228           229           230 
      1  -0.587806D+01  0.963270D+01 -0.707161D+01  0.615398D+01 -0.140546D+02
      2   0.504940D+01 -0.924330D+01  0.447548D+01 -0.507953D+01  0.180082D+02
      3   0.828665D+00 -0.389406D+00  0.259613D+01 -0.107445D+01 -0.395355D+01
      4  -0.100305D+02  0.265697D+01 -0.226978D+01  0.710003D+01 -0.454773D+01
      5   0.339031D+01 -0.221667D+01  0.146756D+01 -0.165934D+01  0.213107D+01
      6  -0.448365D+01  0.120870D+02 -0.869236D+01  0.549354D+01 -0.135238D+02
               231           232           233           234           235 
      1   0.806531D+01 -0.275188D+01  0.581469D+01 -0.747038D+01  0.156532D+01
      2  -0.675853D+01  0.147938D+01 -0.239712D+01  0.147350D+01 -0.505563D+01
      3  -0.130678D+01  0.127251D+01 -0.341758D+01  0.599688D+01  0.349031D+01
      4   0.338718D+01 -0.122713D+01  0.405075D+01 -0.326779D+01  0.272484D+01
      5  -0.564146D+00  0.198059D+01 -0.105458D+01  0.328619D+00 -0.638979D+01
      6   0.964701D+01 -0.435513D+01  0.748987D+01 -0.906403D+01 -0.219965D+01
               236           237           238           239           240 
      1   0.271037D+00 -0.680366D+00 -0.349317D+00 -0.763357D-01 -0.123445D+01
      2   0.647813D+00  0.706311D+01  0.149279D+01 -0.396445D+01 -0.611051D+01
      3  -0.918850D+00 -0.638275D+01 -0.114347D+01  0.404078D+01  0.734496D+01
      4   0.248982D+01 -0.161542D+01 -0.228416D+01 -0.608364D+01  0.887660D+00
      5  -0.426072D+00  0.923153D+01  0.229963D+01 -0.626125D-01 -0.462202D+01
      6  -0.217727D+00  0.315667D+01  0.195127D+01  0.259018D+01 -0.394524D+00
               241           242           243           244           245 
      1   0.541901D+00  0.237014D+01 -0.111322D+02  0.105518D+02 -0.378323D+01
      2   0.523437D+01 -0.253680D+01 -0.181900D+02 -0.656459D+01  0.354013D+01
      3  -0.577627D+01  0.166660D+00  0.293222D+02 -0.398720D+01  0.243105D+00
      4  -0.327931D+01 -0.305316D+01  0.376230D+00 -0.792838D+01  0.801314D+01
      5   0.711601D+01  0.897487D+00 -0.161769D+02  0.773465D+01 -0.604700D+01
      6   0.281829D+01  0.479387D+01 -0.135576D+02 -0.340558D+01  0.276669D+01
               246           247           248           249           250 
      1   0.316721D+01 -0.969677D+01  0.199121D+01 -0.347365D+01 -0.393218D+00
      2  -0.373923D+01  0.877094D+01 -0.285629D+01  0.633351D+01 -0.256793D+01
      3   0.572021D+00  0.925830D+00  0.865087D+00 -0.285985D+01  0.296115D+01
      4  -0.515380D+01  0.612011D+01 -0.155751D+02  0.648317D+01 -0.482734D+01
      5   0.668882D+01 -0.122808D+02  0.811224D+01 -0.101414D+02  0.571526D+01
      6  -0.201117D+01  0.504568D+01 -0.668463D+01  0.439176D+01 -0.207996D+01
               251           252           253           254           255 
      1  -0.457938D+00 -0.824212D+00 -0.601234D+01  0.972749D+00  0.361077D+01
      2   0.259092D+01 -0.517686D+01  0.254914D+01  0.166597D+00  0.178509D+01
      3  -0.213298D+01  0.600107D+01  0.346320D+01 -0.113935D+01 -0.539585D+01
      4   0.352977D+01 -0.508926D+01 -0.377352D+01 -0.306328D+00 -0.105665D+01
      5  -0.537816D+01  0.864980D+01 -0.261561D+01 -0.739274D+00 -0.113350D+00
      6   0.374356D+01 -0.272400D+01  0.729498D+00 -0.363856D+00 -0.206300D+01
               256           257           258           259           260 
      1   0.266154D+01 -0.399550D+01 -0.690745D+01  0.274491D+01 -0.411039D+01
      2  -0.173015D+01 -0.562916D-01 -0.118573D+01 -0.412284D+01 -0.151741D+01
      3  -0.931385D+00  0.405179D+01  0.809318D+01  0.137793D+01  0.562780D+01
      4   0.419504D+01  0.356878D+01  0.376691D+01  0.237698D+01  0.349593D+01
      5   0.206828D+01  0.391977D+01  0.570829D+01  0.590448D+01  0.316445D+01
      6   0.167139D+01  0.559318D+01  0.894257D+01  0.124086D+01  0.602248D+01
               261           262           263           264           265 
      1  -0.175222D+02  0.198224D+02  0.335836D+01 -0.696005D+01  0.176221D+01
      2  -0.118250D+02 -0.176819D+02 -0.613044D+01  0.938469D+01 -0.385004D+01
      3   0.293472D+02 -0.214047D+01  0.277207D+01 -0.242464D+01  0.208783D+01
      4   0.213670D+01 -0.121315D+02  0.587560D+01  0.600746D+01  0.340897D+00
      5   0.173556D+02 -0.183981D+02  0.180871D+01  0.115968D+02 -0.418532D+01
      6   0.120334D+02  0.584143D+01 -0.246725D+01 -0.527977D+01  0.342085D+00
               266           267           268           269           270 
      1   0.515169D+01 -0.841502D-01 -0.408446D+01  0.646837D+00  0.206429D+01
      2  -0.414857D+01  0.168429D+01  0.767456D+01 -0.125282D+01 -0.804962D+01
      3  -0.100312D+01 -0.160014D+01 -0.359010D+01  0.605987D+00  0.598533D+01
      4   0.868634D+00  0.994241D+00  0.191163D+01  0.290493D+00 -0.222493D+01
      5   0.677483D-01  0.284084D+01  0.843988D+01  0.628079D+00 -0.800740D+01
      6  -0.165828D+01 -0.504925D+00 -0.267122D+01  0.101031D+01  0.422531D+01
               271           272           273           274           275 
      1  -0.337169D+00 -0.614566D+01 -0.815186D+01 -0.153690D+01 -0.314797D+01
      2  -0.444865D+01  0.576069D+01 -0.138094D+01  0.136915D+01  0.413607D+00
      3   0.478582D+01  0.384966D+00  0.953280D+01  0.167753D+00  0.273436D+01
      4   0.438121D+01 -0.200187D+01  0.270384D+01 -0.248718D+00  0.184842D+01
      5   0.178018D+01 -0.829694D+00  0.263597D+01 -0.311604D+00  0.177727D+01
      6   0.179634D+01  0.574457D+01  0.842355D+01  0.230960D+01  0.359455D+01
               276           277           278           279           280 
      1  -0.283446D+01 -0.227842D+01 -0.665637D+01 -0.167856D+02  0.127948D+02
      2   0.959736D+00 -0.738334D+00  0.171871D+01 -0.125675D+02 -0.119230D+02
      3   0.187472D+01  0.301675D+01  0.493766D+01  0.293531D+02 -0.871734D+00
      4   0.137151D+01  0.335058D+01 -0.149637D+01  0.285502D+01  0.181804D+02
      5   0.641372D+00  0.376656D+01 -0.896198D+00 -0.368769D+01 -0.159773D+02
      6   0.620862D+01  0.102561D+01  0.816817D+01  0.208160D+02 -0.919153D+01
               281           282           283           284           285 
      1  -0.357174D+01 -0.272683D+01  0.501849D+00  0.360549D+01 -0.124561D+01
      2   0.631196D+01  0.547404D+01  0.155573D+01 -0.133488D+01  0.316773D+00
      3  -0.274022D+01 -0.274721D+01 -0.205758D+01 -0.227062D+01  0.928840D+00
      4   0.715512D+01 -0.926795D+01  0.328008D+01  0.312380D+01 -0.109122D+01
      5  -0.521754D+01  0.102163D+02 -0.139779D+00 -0.688949D+00 -0.252317D-01
      6  -0.568982D+01  0.808777D+01 -0.144483D+01  0.484105D+00  0.875513D+00
               286           287           288           289           290 
      1  -0.214262D+01 -0.124818D+01  0.322088D+00 -0.611709D+00  0.670912D+01
      2   0.545820D+01  0.274955D+01 -0.630234D+01 -0.418519D+01 -0.686218D+01
      3  -0.331558D+01 -0.150137D+01  0.598026D+01  0.479690D+01  0.153056D+00
      4  -0.434639D+01 -0.136171D+01  0.443040D+01 -0.321037D+01  0.981291D+00
      5   0.746295D+01  0.107444D+01 -0.667354D+01  0.242730D+01 -0.709081D+00
      6   0.436935D+01  0.199985D+01 -0.612679D+01 -0.338161D+01  0.567231D+01
               291           292           293           294           295 
      1  -0.666942D+01  0.183409D+01  0.138489D+00  0.202992D+00 -0.226363D+01
      2  -0.302824D+01 -0.220521D+01 -0.285883D+01 -0.834665D+00 -0.190923D+01
      3   0.969767D+01  0.371125D+00  0.272034D+01  0.631673D+00  0.417286D+01
      4  -0.443128D+01  0.280628D+00 -0.209982D+01  0.103389D+01 -0.338023D+01
      5   0.508664D+01 -0.348376D+00  0.237345D+01 -0.945951D+00  0.407816D+01
      6  -0.870507D+01  0.222670D+01 -0.903330D+00  0.372504D+01 -0.210384D+01
               296           297           298           299           300 
      1   0.646443D+01 -0.151002D+02  0.363239D+01  0.191319D+01  0.283727D+00
      2  -0.246352D+01 -0.142427D+02 -0.252691D+00 -0.560601D+00 -0.117079D+00
      3  -0.400091D+01  0.293428D+02 -0.337970D+01 -0.135259D+01 -0.166648D+00
      4  -0.113032D+00 -0.352755D+01  0.676690D+01  0.667962D+01  0.395010D+01
      5  -0.188518D+00  0.172494D+01  0.274698D+01  0.426169D+01  0.358532D+01
      6   0.783821D+01 -0.210421D+02  0.248563D+01  0.261968D+01  0.178992D+01
               301           302           303           304           305 
      1   0.799904D+01 -0.405772D+01 -0.284513D+00 -0.242296D+01 -0.215489D+01
      2  -0.597131D+01  0.377338D+01 -0.263513D+01  0.995329D-01 -0.668448D+00
      3  -0.202772D+01  0.284337D+00  0.291965D+01  0.232343D+01  0.282334D+01
      4   0.776753D+01  0.190868D+02  0.936695D+01  0.361098D+01  0.491048D+01
      5   0.969645D+01  0.100413D+02  0.992911D+01  0.376606D+01  0.538858D+01
      6   0.640630D+01  0.113041D+02  0.754382D+01  0.208621D+01  0.571603D+01
               306           307           308           309           310 
      1  -0.361489D+01 -0.566785D+01 -0.174564D+01  0.168770D+01 -0.539955D+01
      2  -0.240319D+01  0.266882D+01  0.882161D+00  0.145470D+01  0.475789D+01
      3   0.601808D+01  0.299903D+01  0.863482D+00 -0.314240D+01  0.641666D+00
      4   0.550478D+01  0.326472D+00  0.695692D+00  0.125914D+00  0.372586D+01
      5   0.769293D+01 -0.143935D+01 -0.947356D+00  0.138650D+01 -0.418722D+01
      6   0.483306D+01 -0.179379D+01  0.507450D+00  0.868272D-01  0.178816D+01
               311           312           313           314           315 
      1  -0.362080D+01  0.529985D+01  0.281061D+01  0.304342D+01 -0.161002D+02
      2  -0.907760D+00  0.391240D+01 -0.556964D+01  0.206093D+01 -0.132296D+02
      3   0.452856D+01 -0.921225D+01  0.275903D+01 -0.510435D+01  0.293299D+02
      4  -0.321784D+01  0.488502D+01 -0.132948D+01  0.347498D+01 -0.326348D+01
      5   0.433280D+01 -0.770731D+01  0.699889D+01 -0.290976D+01  0.198376D+02
      6  -0.401099D+01  0.748114D+01 -0.976639D+00  0.493350D+01 -0.725288D+01
               316           317           318           319           320 
      1  -0.579244D+01 -0.752291D+01 -0.498036D+01 -0.670870D+01 -0.185123D+02
      2   0.563089D+01  0.604844D+01  0.279238D+01  0.455312D+01  0.217772D+02
      3   0.161558D+00  0.147447D+01  0.218798D+01  0.215559D+01 -0.326493D+01
      4   0.516032D+01  0.570024D-01 -0.666767D+00  0.579530D+01 -0.298625D+01
      5   0.210575D+01 -0.249104D-01 -0.282020D+00  0.111609D+01 -0.131488D+01
      6   0.131080D+01  0.904637D+01  0.610547D+01  0.251573D+01  0.174952D+02
               321           322           323           324           325 
      1  -0.103818D+02 -0.112617D+01 -0.782741D+01 -0.851578D+01  0.215616D+01
      2   0.844976D+01  0.763592D+00  0.419234D+01  0.250223D+01 -0.516889D+01
      3   0.193204D+01  0.362580D+00  0.363507D+01  0.601355D+01  0.301273D+01
      4  -0.881551D+00 -0.350854D+00  0.148143D+01  0.648825D+00 -0.459048D+00
      5  -0.203991D+01  0.101168D+01 -0.648938D+00 -0.198350D+01 -0.571668D+01
      6   0.114065D+02  0.265206D+01  0.847968D+01  0.887402D+01 -0.116197D-02
               326           327           328           329           330 
      1  -0.806161D-01 -0.122746D+01  0.279699D+01 -0.298106D+01  0.826507D+00
      2  -0.585754D+00  0.553794D+01 -0.367853D+01 -0.152637D+01  0.790281D+01
      3   0.666370D+00 -0.431047D+01  0.881541D+00  0.450743D+01 -0.872932D+01
      4   0.490461D+00 -0.389937D+00 -0.330681D+01  0.599268D+01 -0.528084D+00
      5  -0.120855D+01  0.826293D+01 -0.438926D+01 -0.422880D+00  0.691074D+01
      6   0.569806D+00 -0.872563D+00  0.197692D+01 -0.204167D+01  0.581010D+00
               331           332           333 
      1  -0.592040D+00 -0.719973D+00 -0.113923D+02
      2   0.615333D+01  0.235006D+01 -0.179394D+02
      3  -0.556129D+01 -0.163009D+01  0.293317D+02
      4   0.262489D+01 -0.330178D+01  0.140576D+01
      5   0.790282D+01 -0.814563D-01 -0.191096D+02
      6  -0.201034D+01  0.403055D+01  0.898873D+01
 Leave Link  716 at Fri Jul 16 15:19:22 2021, MaxMem=  5637144576 cpu:               6.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157108D+03 -0.357379D-02 -0.101475D-03
      2  -0.357379D-02  0.157054D+03  0.399099D-02
      3  -0.101475D-03  0.399099D-02  0.121140D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.296034D+01 -0.289006D-01 -0.166837D-01
      2  -0.347713D-02  0.292145D+01 -0.764097D-02
      3   0.376709D-01  0.873118D-03 -0.491354D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.341093D+02 -0.842264D+02 -0.841206D-02
      2  -0.341413D+02  0.842437D+02  0.104898D-01
      3   0.319714D-01 -0.173907D-01 -0.207774D-02
      4  -0.841999D+02 -0.341631D+02  0.302043D-02
      5  -0.108590D-01  0.550488D+01  0.161040D-01
      6  -0.549230D+01  0.142321D-02 -0.121743D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110510D+01  0.252962D+01 -0.181392D+01  0.962266D+00  0.118165D+01
      2   0.252962D+01  0.280216D+01 -0.367655D+01  0.118165D+01  0.381832D+01
      3  -0.181392D+01 -0.367655D+01 -0.718177D-01 -0.363166D+01 -0.692864D+00
                 6             7             8             9            10 
      1  -0.363166D+01 -0.197320D+01 -0.478987D+01  0.430024D+00  0.512926D+01
      2  -0.692864D+00 -0.478987D+01 -0.139297D+01  0.290861D+01  0.746709D+00
      3   0.187249D+01  0.430024D+00  0.290861D+01 -0.329071D+00  0.263939D+01
                11            12            13            14            15 
      1   0.746709D+00  0.263939D+01  0.270377D+01  0.160188D+01  0.344179D+01
      2   0.531127D+00  0.340722D+01  0.160188D+01 -0.212054D+00 -0.136417D+00
      3   0.340722D+01  0.178825D+01  0.344179D+01 -0.136417D+00 -0.567458D+00
                16            17            18            19            20 
      1   0.387693D+01  0.426467D+01  0.292406D+01 -0.108767D+02 -0.230321D+01
      2   0.426467D+01 -0.520380D+00 -0.355327D+00 -0.230321D+01  0.156009D+00
      3   0.292406D+01 -0.355327D+00  0.328212D+00 -0.455803D+01 -0.240937D+01
                21            22            23            24            25 
      1  -0.455803D+01 -0.501793D+01 -0.912037D+00 -0.303323D+01 -0.305476D+01
      2  -0.240937D+01 -0.912037D+00 -0.158709D+01 -0.798771D-02 -0.139808D+01
      3  -0.191748D+01 -0.303323D+01 -0.798771D-02  0.225674D+00 -0.220464D+01
                26            27            28            29            30 
      1  -0.139808D+01 -0.220464D+01 -0.678733D+00  0.174392D+01  0.147052D-01
      2   0.695452D-01  0.980810D+00  0.174392D+01  0.712981D+00 -0.172177D+01
      3   0.980810D+00  0.812991D+00  0.147052D-01 -0.172177D+01 -0.298580D-03
                31            32            33            34            35 
      1   0.175379D+01  0.712892D+00  0.174519D+01 -0.264104D-01 -0.478515D-02
      2   0.712892D+00 -0.176787D+01 -0.198782D-02 -0.478515D-02 -0.197779D-01
      3   0.174519D+01 -0.198782D-02 -0.442014D-02  0.586058D-04 -0.167927D-02
                36            37            38            39            40 
      1   0.586058D-04 -0.267507D+01 -0.284822D+01  0.170626D+01 -0.112959D+01
      2  -0.167927D-02 -0.284822D+01 -0.650683D+01  0.379651D+01 -0.417331D+01
      3  -0.574272D-02  0.170626D+01  0.379651D+01 -0.280951D+00  0.318340D+01
                41            42            43            44            45 
      1  -0.417331D+01  0.318340D+01  0.889445D+00  0.200770D+01  0.360579D+00
      2  -0.745784D+01  0.283805D+01  0.200770D+01  0.213593D+01 -0.238583D+01
      3   0.283805D+01 -0.190559D+01  0.360579D+00 -0.238583D+01 -0.809816D+00
                46            47            48            49            50 
      1   0.122224D+02  0.687852D+00  0.559166D+01 -0.218045D+01  0.126245D+00
      2   0.687852D+00 -0.202522D+00 -0.949805D+00  0.126245D+00 -0.144840D+01
      3   0.559166D+01 -0.949805D+00  0.179408D+01 -0.155691D+01 -0.104221D+01
                51            52            53            54            55 
      1  -0.155691D+01  0.355136D+01 -0.455295D+00  0.188568D+01 -0.586306D+01
      2  -0.104221D+01 -0.455295D+00 -0.550517D+00  0.150891D+01 -0.292767D+00
      3   0.714181D+00  0.188568D+01  0.150891D+01 -0.808252D+00 -0.414396D+01
                56            57            58            59            60 
      1  -0.292767D+00 -0.414396D+01  0.188904D+01 -0.785576D+00  0.232297D+01
      2  -0.246036D+00  0.228496D+01 -0.785576D+00 -0.902662D+00  0.164112D+01
      3   0.228496D+01 -0.158443D+01  0.232297D+01  0.164112D+01 -0.998235D+00
                61            62            63            64            65 
      1  -0.568763D+01  0.263552D+01 -0.273669D+01 -0.282721D+01  0.297064D+01
      2   0.263552D+01  0.233268D+01 -0.107997D+01  0.297064D+01 -0.217315D+01
      3  -0.273669D+01 -0.107997D+01 -0.332258D+00  0.352978D+01 -0.292914D+01
                66            67            68            69            70 
      1   0.352978D+01  0.105448D+01 -0.100876D+01 -0.289008D+01  0.427560D+01
      2  -0.292914D+01 -0.100876D+01  0.259351D+01 -0.102992D+01 -0.403126D+01
      3  -0.406868D+00 -0.289008D+01 -0.102992D+01  0.182673D+01 -0.116119D+01
                71            72            73            74            75 
      1  -0.403126D+01 -0.116119D+01  0.509233D+01 -0.464405D+01 -0.350395D+01
      2  -0.925828D+00  0.270460D+01 -0.464405D+01  0.596436D+01  0.363707D+01
      3   0.270460D+01  0.330814D+00 -0.350395D+01  0.363707D+01  0.758224D+00
                76            77            78            79            80 
      1  -0.237768D+01  0.415894D+01  0.301958D+01 -0.192568D+01  0.205243D+01
      2   0.415894D+01 -0.359961D+01 -0.105344D+01  0.205243D+01 -0.106665D+01
      3   0.301958D+01 -0.105344D+01 -0.177001D+01  0.256860D+00 -0.239722D+01
                81            82            83            84            85 
      1   0.256860D+00 -0.113756D+01  0.918961D+00  0.120445D+01  0.135294D+01
      2  -0.239722D+01  0.918961D+00  0.778513D+00 -0.296506D+00  0.365198D+01
      3   0.810862D+00  0.120445D+01 -0.296506D+00  0.115491D+01 -0.918409D+00
                86            87            88            89            90 
      1   0.365198D+01 -0.918409D+00  0.483815D+00 -0.649700D+00  0.195034D+01
      2   0.112050D+02 -0.576020D+01 -0.649700D+00 -0.349317D+01  0.141627D+01
      3  -0.576020D+01  0.153969D+01  0.195034D+01  0.141627D+01  0.813654D+00
                91            92            93            94            95 
      1  -0.126446D+01 -0.410500D+00 -0.240679D+01 -0.461109D+00 -0.163744D+01
      2  -0.410500D+00  0.606384D+00 -0.536938D+00 -0.163744D+01 -0.568968D+01
      3  -0.240679D+01 -0.536938D+00 -0.138559D+01 -0.497182D+00  0.490977D+01
                96            97            98            99           100 
      1  -0.497182D+00 -0.311202D+01 -0.235115D+00 -0.176938D+01  0.170428D+01
      2   0.490977D+01 -0.235115D+00  0.646925D+01 -0.235421D+01 -0.585738D+00
      3  -0.126931D+01 -0.176938D+01 -0.235421D+01  0.322955D+00  0.218622D+01
               101           102           103           104           105 
      1  -0.585738D+00  0.218622D+01 -0.120583D+01  0.264962D+01  0.136871D+01
      2   0.488962D+00  0.133173D+01  0.264962D+01 -0.457358D+01 -0.469206D+01
      3   0.133173D+01  0.166236D+01  0.136871D+01 -0.469206D+01 -0.867984D+00
               106           107           108           109           110 
      1   0.260968D+01  0.215165D+01  0.231052D+01 -0.425210D+00  0.265372D+01
      2   0.215165D+01 -0.596071D+01 -0.182215D+01  0.265372D+01 -0.242427D+01
      3   0.231052D+01 -0.182215D+01 -0.321954D+00 -0.459938D+00 -0.193421D+01
               111           112           113           114           115 
      1  -0.459938D+00  0.380136D+01 -0.509711D+01 -0.255080D+01  0.724942D-01
      2  -0.193421D+01 -0.509711D+01  0.843753D+01  0.501841D+01 -0.154741D+01
      3  -0.151476D+01 -0.255080D+01  0.501841D+01  0.119613D+01 -0.225226D+01
               116           117           118           119           120 
      1  -0.154741D+01 -0.225226D+01 -0.490332D+00 -0.956362D+00  0.286208D+00
      2   0.290759D+01  0.877452D+00 -0.956362D+00 -0.386833D+00  0.416256D+00
      3   0.877452D+00 -0.816725D+00  0.286208D+00  0.416256D+00 -0.266881D+00
               121           122           123           124           125 
      1  -0.147826D+01  0.559243D+00  0.108933D+00  0.735761D+00  0.263604D+00
      2   0.559243D+00 -0.508663D+01  0.162849D+01  0.263604D+00  0.274917D+01
      3   0.108933D+00  0.162849D+01 -0.147703D+01  0.259795D+00 -0.198442D+01
               126           127           128           129           130 
      1   0.259795D+00  0.692946D+01 -0.334159D+01 -0.241077D+01 -0.267291D+01
      2  -0.198442D+01 -0.334159D+01  0.278138D+01  0.142332D+01  0.276435D+01
      3   0.211314D+01 -0.241077D+01  0.142332D+01  0.173036D+01  0.133535D+01
               131           132           133           134           135 
      1   0.276435D+01  0.133535D+01 -0.395234D+01  0.280624D+01  0.275909D+01
      2  -0.346631D+01 -0.118940D+01  0.280624D+01 -0.206464D+01 -0.218377D+01
      3  -0.118940D+01 -0.118584D+01  0.275909D+01 -0.218377D+01 -0.267503D+01
               136           137           138           139           140 
      1   0.309570D+01  0.131098D+01 -0.700095D+00  0.234380D+01  0.123510D+01
      2   0.131098D+01  0.941312D+00 -0.519807D+00  0.123510D+01  0.289532D+01
      3  -0.700095D+00 -0.519807D+00  0.861088D+00 -0.823715D+00 -0.121366D+01
               141           142           143           144           145 
      1  -0.823715D+00 -0.148065D+01 -0.100763D+01  0.159062D+01  0.990580D+01
      2  -0.121366D+01 -0.100763D+01 -0.199415D+01  0.121191D+01 -0.121566D+01
      3   0.122757D+01  0.159062D+01  0.121191D+01 -0.211041D+01  0.317564D+01
               146           147           148           149           150 
      1  -0.121566D+01  0.317564D+01 -0.170092D+01  0.175527D+01 -0.666837D+00
      2   0.129332D+01 -0.578377D+00  0.175527D+01 -0.875476D+00  0.425472D+00
      3  -0.578377D+00  0.206079D+01 -0.666837D+00  0.425472D+00 -0.393465D+00
               151           152           153           154           155 
      1   0.580531D+01 -0.967174D+00  0.349317D+01  0.381404D+01  0.133138D+01
      2  -0.967174D+00  0.209901D+00 -0.421262D+00  0.133138D+01  0.229557D+01
      3   0.349317D+01 -0.421262D+00  0.267551D+01  0.152085D+01  0.603159D+00
               156           157           158           159           160 
      1   0.152085D+01  0.777619D+00  0.137387D+01  0.296731D+00  0.247332D+01
      2   0.603159D+00  0.137387D+01  0.174534D+01  0.398497D+00  0.738567D+00
      3   0.141227D+01  0.296731D+00  0.398497D+00  0.509509D+00  0.159034D+01
               161           162           163           164           165 
      1   0.738567D+00  0.159034D+01  0.296815D+00  0.155797D+01 -0.300749D+00
      2   0.101402D+01  0.121699D+01  0.155797D+01  0.174106D+00 -0.119996D+00
      3   0.121699D+01  0.211898D+01 -0.300749D+00 -0.119996D+00  0.164917D+00
               166           167           168           169           170 
      1   0.123881D+01  0.760468D+00 -0.206734D+00 -0.107437D+00 -0.588853D+00
      2   0.760468D+00  0.102394D+02 -0.329911D+01 -0.588853D+00 -0.590664D+01
      3  -0.206734D+00 -0.329911D+01  0.209136D+01  0.515435D+00  0.347853D+01
               171           172           173           174           175 
      1   0.515435D+00 -0.460884D+01  0.112173D+01 -0.166793D+01  0.347198D+00
      2   0.347853D+01  0.112173D+01 -0.194049D+01  0.265824D+00 -0.118468D+01
      3  -0.267241D+01 -0.166793D+01  0.265824D+00 -0.149465D+01 -0.371786D-01
               176           177           178           179           180 
      1  -0.118468D+01 -0.371786D-01 -0.274182D+01  0.283692D+00 -0.184681D+01
      2   0.511591D+00 -0.250512D+00  0.283692D+00 -0.750703D+00  0.770628D+00
      3  -0.250512D+00  0.130788D+00 -0.184681D+01  0.770628D+00 -0.211936D+01
               181           182           183           184           185 
      1  -0.157858D+01  0.201457D+01  0.574372D+00  0.185468D+01 -0.244533D+01
      2   0.201457D+01 -0.179887D+01 -0.837060D+00 -0.244533D+01  0.913176D+01
      3   0.574372D+00 -0.837060D+00 -0.691674D+00 -0.922572D+00  0.302409D+01
               186           187           188           189           190 
      1  -0.922572D+00  0.771256D+00 -0.193887D+01 -0.138242D+01 -0.423963D+01
      2   0.302409D+01 -0.193887D+01  0.524086D+01  0.323113D+01  0.893531D+00
      3   0.197859D+01 -0.138242D+01  0.323113D+01  0.267007D+01  0.106511D+01
               191           192           193           194           195 
      1   0.893531D+00  0.106511D+01  0.197664D+01 -0.101076D+01 -0.863093D+00
      2  -0.991778D+00 -0.558212D+00 -0.101076D+01  0.207265D+01  0.853130D+00
      3  -0.558212D+00 -0.114442D+01 -0.863093D+00  0.853130D+00  0.970060D+00
               196           197           198           199           200 
      1   0.202024D+01 -0.999427D+00 -0.184623D+01 -0.826804D+01 -0.262849D+01
      2  -0.999427D+00  0.147599D+01  0.770387D+00 -0.262849D+01 -0.190959D+01
      3  -0.184623D+01  0.770387D+00  0.211809D+01 -0.269244D+01 -0.117299D+01
               201           202           203           204           205 
      1  -0.269244D+01 -0.297343D+01 -0.247717D+01 -0.125866D+01 -0.497015D+01
      2  -0.117299D+01 -0.247717D+01 -0.234883D+01 -0.907273D+00 -0.221648D+01
      3  -0.189360D+01 -0.125866D+01 -0.907273D+00 -0.901945D+00 -0.327085D+01
               206           207           208           209           210 
      1  -0.221648D+01 -0.327085D+01  0.128382D+01 -0.876947D+00 -0.502900D+00
      2  -0.104606D+01 -0.129267D+01 -0.876947D+00  0.122605D+01  0.708875D+00
      3  -0.129267D+01 -0.267372D+01 -0.502900D+00  0.708875D+00  0.631297D+00
               211           212           213           214           215 
      1  -0.113650D+01  0.184873D+00  0.403732D+00 -0.991568D+00  0.721569D+00
      2   0.184873D+00 -0.497201D+01 -0.141320D+01  0.721569D+00 -0.248661D+01
      3   0.403732D+00 -0.141320D+01 -0.136053D+01  0.251094D+00 -0.198529D+01
               216           217           218           219           220 
      1   0.251094D+00 -0.450931D+01 -0.323895D+01  0.165468D+01 -0.259429D+01
      2  -0.198529D+01 -0.323895D+01 -0.332712D+01  0.154582D+01 -0.313820D+01
      3  -0.211341D+01  0.165468D+01  0.154582D+01 -0.137274D+01  0.145733D+01
               221           222           223           224           225 
      1  -0.313820D+01  0.145733D+01  0.245184D+01  0.290727D+01 -0.211242D+01
      2  -0.580792D+01  0.194617D+01  0.290727D+01  0.356508D+01 -0.281332D+01
      3   0.194617D+01 -0.158717D+01 -0.211242D+01 -0.281332D+01  0.267476D+01
               226           227           228           229           230 
      1   0.237582D+01 -0.314002D+00  0.311204D+00 -0.177543D+01  0.121796D+01
      2  -0.314002D+00  0.315243D+01 -0.210087D+01  0.121796D+01 -0.396807D+01
      3   0.311204D+00 -0.210087D+01  0.159801D+01 -0.974466D+00  0.153548D+01
               231           232           233           234           235 
      1  -0.974466D+00  0.410403D+00 -0.113025D+01  0.712694D+00 -0.135535D+01
      2   0.153548D+01 -0.113025D+01  0.774720D+00 -0.954321D+00 -0.295396D+00
      3  -0.137980D+01  0.712694D+00 -0.954321D+00  0.184531D+01  0.113721D+01
               236           237           238           239           240 
      1  -0.295396D+00  0.113721D+01  0.529233D+00  0.120718D+01 -0.877949D+00
      2  -0.285669D+00 -0.142156D+00  0.120718D+01  0.198438D+01 -0.242083D+00
      3  -0.142156D+00 -0.160133D+01 -0.877949D+00 -0.242083D+00  0.146533D+01
               241           242           243           244           245 
      1   0.134030D+01  0.298260D+00 -0.141239D+01 -0.229936D+01  0.142370D+01
      2   0.298260D+00  0.132776D+01 -0.387072D+00  0.142370D+01 -0.178060D+01
      3  -0.141239D+01 -0.387072D+00  0.591070D+01 -0.661385D+00  0.107098D+01
               246           247           248           249           250 
      1  -0.661385D+00  0.367589D+01 -0.873392D+00  0.220130D+01 -0.172547D+00
      2   0.107098D+01 -0.873392D+00  0.317743D+01 -0.117946D+01  0.106731D+01
      3  -0.906878D+00  0.220130D+01 -0.117946D+01  0.190788D+01 -0.730461D+00
               251           252           253           254           255 
      1   0.106731D+01 -0.730461D+00  0.227706D+01  0.510239D+00  0.410805D+00
      2  -0.101589D+01  0.940262D+00  0.510239D+00 -0.285857D+00  0.453957D+00
      3   0.940262D+00 -0.184664D+01  0.410805D+00  0.453957D+00  0.990654D+00
               256           257           258           259           260 
      1  -0.115929D+01 -0.685220D+00 -0.279715D+00 -0.147672D+01 -0.258453D+00
      2  -0.685220D+00 -0.109958D+01 -0.130132D+01 -0.258453D+00 -0.118450D+01
      3  -0.279715D+00 -0.130132D+01 -0.193433D+01 -0.749471D+00 -0.126428D+01
               261           262           263           264           265 
      1  -0.749471D+00 -0.549150D+01  0.378380D+00  0.255792D+01 -0.562969D+00
      2  -0.126428D+01  0.378380D+00 -0.224732D+01 -0.323442D+00 -0.160301D-01
      3  -0.591562D+01  0.255792D+01 -0.323442D+00 -0.199079D+01  0.803603D+00
               266           267           268           269           270 
      1  -0.160301D-01  0.803603D+00  0.166250D+01  0.409673D+00 -0.118091D+01
      2  -0.135731D+01 -0.716193D+00  0.409673D+00 -0.477063D+00 -0.142098D+00
      3  -0.716193D+00 -0.694673D+00 -0.118091D+01 -0.142098D+00  0.184344D+01
               271           272           273           274           275 
      1   0.646799D+00 -0.912667D+00  0.542358D+00 -0.308749D-01  0.889566D+00
      2  -0.912667D+00  0.235267D+01  0.121952D+01  0.889566D+00  0.196137D+00
      3   0.542358D+00  0.121952D+01  0.206817D+01  0.483956D+00  0.352023D+00
               276           277           278           279           280 
      1   0.483956D+00  0.107285D+01 -0.146699D+00  0.367669D+00  0.509203D+01
      2   0.352023D+00 -0.146699D+00  0.159911D+01  0.142262D+01  0.103639D+01
      3   0.657038D+00  0.367669D+00  0.142262D+01  0.591883D+01 -0.246474D+01
               281           282           283           284           285 
      1   0.103639D+01 -0.246474D+01  0.698783D+00  0.486809D+00 -0.316866D-01
      2   0.288661D+01 -0.115761D+01  0.486809D+00 -0.578491D+00  0.620871D+00
      3  -0.115761D+01  0.210282D+01 -0.316866D-01  0.620871D+00 -0.164199D+00
               286           287           288           289           290 
      1  -0.173036D+01 -0.169231D+00  0.117905D+01 -0.396306D+00 -0.152675D+00
      2  -0.169231D+00  0.540626D+00  0.163619D+00 -0.152675D+00 -0.253048D+01
      3   0.117905D+01  0.163619D+00 -0.184400D+01 -0.946908D+00  0.106286D+01
               291           292           293           294           295 
      1  -0.946908D+00  0.339027D+00 -0.899403D+00  0.329767D+00 -0.103106D+01
      2   0.106286D+01 -0.899403D+00 -0.928351D+00  0.581857D-01  0.251755D-02
      3  -0.216273D+01  0.329767D+00  0.581857D-01  0.111021D+00 -0.716628D+00
               296           297           298           299           300 
      1   0.251755D-02 -0.716628D+00  0.700066D+00  0.110010D+01 -0.104291D+00
      2  -0.162789D+01  0.128001D+01  0.110010D+01  0.149705D+01  0.733957D+00
      3   0.128001D+01 -0.591440D+01 -0.104291D+00  0.733957D+00  0.393778D+00
               301           302           303           304           305 
      1   0.350489D+01  0.120166D+01  0.186051D+01 -0.294906D+00  0.721930D+00
      2   0.120166D+01  0.416551D+01  0.195035D+01  0.721930D+00  0.148364D+01
      3   0.186051D+01  0.195035D+01  0.207869D+01  0.469684D+00  0.109736D+01
               306           307           308           309           310 
      1   0.469684D+00 -0.189579D+01 -0.329673D+00 -0.339558D+00 -0.203844D+01
      2   0.109736D+01 -0.329673D+00  0.550832D+00  0.259016D-01  0.516322D+00
      3   0.185001D+01 -0.339558D+00  0.259016D-01 -0.463062D+00 -0.712217D+00
               311           312           313           314           315 
      1   0.516322D+00 -0.712217D+00  0.159404D+01 -0.155817D+00  0.104493D+01
      2  -0.651668D+00  0.123811D+01 -0.155817D+00  0.108155D+01 -0.103339D+01
      3   0.123811D+01 -0.212472D+01  0.104493D+01 -0.103339D+01  0.591391D+01
               316           317           318           319           320 
      1  -0.186497D+01  0.504620D-01  0.366355D+00 -0.185182D+01 -0.528071D+00
      2   0.504620D-01 -0.203004D+01 -0.160448D+01 -0.528071D+00 -0.510306D+01
      3   0.366355D+00 -0.160448D+01 -0.119891D+01 -0.475895D+00 -0.221334D+01
               321           322           323           324           325 
      1  -0.475895D+00  0.119531D+00 -0.898913D+00 -0.448408D+00  0.107518D+01
      2  -0.221334D+01 -0.898913D+00 -0.131117D+01 -0.110623D+01  0.366038D+00
      3  -0.174300D+01 -0.448408D+00 -0.110623D+01 -0.185047D+01 -0.796834D+00
               326           327           328           329           330 
      1   0.366038D+00 -0.796834D+00  0.154352D+01 -0.136338D+01 -0.115385D+01
      2  -0.124371D+00 -0.418636D+00 -0.136338D+01  0.130868D+01 -0.955655D-01
      3  -0.418636D+00  0.117789D+01 -0.115385D+01 -0.955655D-01  0.182699D+01
               331           332           333 
      1  -0.148740D+01  0.256721D+00  0.146945D+01
      2   0.256721D+00 -0.118209D+01 -0.155691D-01
      3   0.146945D+01 -0.155691D-01 -0.591297D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.420911D+01 -0.484073D+01 -0.475852D+01 -0.675607D+01  0.354501D+01
      2   0.514825D+01  0.385292D+01  0.703690D+01  0.459883D+01 -0.491671D+01
      3   0.332766D+01 -0.810816D+01  0.220232D+01 -0.172279D+01  0.323456D+01
                 6             7             8             9            10 
      1   0.205258D+01 -0.505339D+01  0.383859D+01  0.112999D+01 -0.195972D+01
      2  -0.194270D+01  0.268843D+01 -0.779799D+00 -0.881070D+00  0.584130D+00
      3   0.940800D+01 -0.562902D+00  0.131982D+02  0.597686D+01 -0.712158D+00
                11            12            13            14            15 
      1   0.425161D+01 -0.177071D+00  0.404338D+01  0.200046D+01 -0.565978D+01
      2  -0.937830D+01 -0.699513D+00 -0.735341D+01 -0.128545D+01  0.688367D+01
      3   0.103317D+01  0.964671D+01  0.736420D+01 -0.586283D+01 -0.377475D+00
                16            17            18            19            20 
      1  -0.612397D+00 -0.115797D+01 -0.580613D+00  0.544577D+01 -0.940972D+01
      2  -0.222566D+01  0.647796D+01  0.137045D+01  0.162659D+02  0.481132D+01
      3   0.125889D+02 -0.405475D+01 -0.600036D+01 -0.132501D+02  0.715216D+01
                21            22            23            24            25 
      1   0.661234D+01 -0.155869D+02 -0.237219D+00 -0.922885D+01  0.448415D+01
      2  -0.288022D+00 -0.279248D+01  0.611718D+00 -0.863634D+01 -0.245748D+02
      3  -0.942096D+01  0.267124D+02  0.418313D+01  0.102372D+02 -0.302068D+01
                26            27            28            29            30 
      1  -0.317347D-01  0.424579D+00  0.130362D+00 -0.536797D+00 -0.579747D-01
      2  -0.977617D+01 -0.183128D+02 -0.271865D+00 -0.394092D+00  0.124284D+01
      3   0.648454D+01  0.251044D+01 -0.100721D+00  0.837092D-01  0.179216D+00
                31            32            33            34            35 
      1  -0.384232D+00 -0.296455D+00 -0.116503D+01  0.878897D-01 -0.388805D+01
      2  -0.166174D+00  0.379401D+00 -0.161032D+00  0.420008D+01 -0.299737D+00
      3  -0.210664D+00  0.180416D+00  0.399881D-03  0.977660D-01 -0.446798D-01
                36            37            38            39            40 
      1  -0.285281D+00  0.515847D+00 -0.224036D+01  0.100279D+02  0.668988D+01
      2   0.113967D+00 -0.665179D+01 -0.121874D+02  0.461373D+01 -0.823630D+01
      3   0.116740D+00 -0.116876D+02 -0.199040D+02  0.734197D+01 -0.315654D+00
                41            42            43            44            45 
      1   0.171220D+02 -0.428091D+01  0.151003D+02  0.191820D+02 -0.174911D+02
      2   0.714776D+01 -0.791432D+01 -0.538242D+01 -0.975872D+01  0.511565D+01
      3   0.206645D+02 -0.117756D+02  0.535430D+01 -0.457255D+01 -0.253011D+01
                46            47            48            49            50 
      1  -0.293803D+01 -0.865240D+01 -0.325864D+01 -0.166581D+02 -0.621225D+01
      2   0.154136D+02 -0.313965D+01 -0.345970D+01  0.252937D+01 -0.494772D+00
      3   0.375542D+01  0.929658D+01  0.648195D+01  0.289019D+02  0.511118D+01
                51            52            53            54            55 
      1  -0.123640D+02  0.242849D+01 -0.196108D+01  0.433112D+01  0.625130D+00
      2   0.541745D+01 -0.266122D+02  0.300118D+01 -0.178370D+02 -0.358470D+01
      3   0.123228D+02  0.133804D+01  0.706787D+01 -0.257898D+01 -0.101999D+01
                56            57            58            59            60 
      1   0.231539D+01  0.129757D+01  0.262596D+01 -0.461937D+00 -0.352417D+01
      2   0.965491D+01  0.146554D+01  0.760142D+01  0.294651D+01 -0.798971D+01
      3  -0.760950D+00 -0.924940D+01  0.561221D+01  0.758781D+01 -0.283133D+01
                61            62            63            64            65 
      1   0.988489D+00  0.806791D+00  0.207594D+00  0.466219D+01 -0.191132D+01
      2  -0.306199D+00 -0.680379D+01  0.144461D+01  0.798548D+01 -0.138700D+01
      3  -0.111342D+02 -0.713186D+01  0.596074D+01 -0.892405D+00 -0.751626D+01
                66            67            68            69            70 
      1   0.235236D+01 -0.355588D+01 -0.409982D+01  0.215582D+01  0.322573D+01
      2   0.712409D+01 -0.257059D+01 -0.765586D+01  0.433421D+01  0.337358D+01
      3  -0.449549D+01 -0.115043D+01 -0.566837D+01  0.855821D+01 -0.281278D+01
                71            72            73            74            75 
      1   0.443011D+01 -0.889928D+00  0.193294D+00 -0.373317D+00 -0.900772D+01
      2   0.260647D+01 -0.118790D+01 -0.111243D+02  0.771678D+01  0.218564D+00
      3   0.129509D+02 -0.596735D+01  0.146341D+02 -0.106489D+02 -0.420506D+01
                76            77            78            79            80 
      1   0.921754D+01 -0.173094D+02 -0.869342D+01 -0.169797D+02  0.121982D+02
      2   0.607820D+01  0.716235D+01  0.689804D+01 -0.124162D+02  0.116134D+02
      3   0.894849D+01 -0.235262D+02 -0.132780D+02 -0.407174D+01 -0.592291D+01
                81            82            83            84            85 
      1   0.156997D+02 -0.278647D+01  0.280015D+01 -0.735554D+00 -0.664808D+00
      2   0.953379D+01 -0.122328D+02 -0.152333D+02  0.133991D+02 -0.613654D+01
      3   0.253954D+01 -0.148496D+02 -0.258118D+02  0.135243D+02 -0.629894D+01
                86            87            88            89            90 
      1   0.148266D+02  0.453084D+01  0.441699D+01  0.246173D+02 -0.160271D+02
      2  -0.751509D+00 -0.131402D+01  0.453446D-01 -0.972098D+01  0.879702D+01
      3   0.575018D+01  0.304624D+01  0.707170D+01 -0.597354D+00  0.251789D+01
                91            92            93            94            95 
      1   0.684109D+01  0.528928D+01  0.788641D+01  0.716237D+01 -0.745876D+01
      2  -0.971216D+00  0.120692D+01  0.101865D+01  0.377846D+00  0.129319D+01
      3  -0.820027D+01 -0.306307D+01 -0.513943D+01  0.329277D+01  0.164754D+01
                96            97            98            99           100 
      1  -0.392261D+01  0.616092D+01 -0.162681D+01  0.147930D+01 -0.856253D+01
      2  -0.117347D+01 -0.275815D+01 -0.311951D+00 -0.181109D+00 -0.271195D+01
      3  -0.817751D+01 -0.978583D+01 -0.888878D+01 -0.598899D+01  0.748280D+01
               101           102           103           104           105 
      1   0.136607D+01 -0.656991D+01  0.296738D+01  0.906980D+01 -0.600279D+01
      2  -0.136330D+01 -0.100358D+01 -0.826528D-01  0.316210D+01 -0.136491D+00
      3  -0.663522D+00  0.704325D+01  0.571196D+01 -0.940757D+00 -0.660050D+01
               106           107           108           109           110 
      1  -0.467709D+01 -0.295389D+01 -0.138131D+01  0.537307D+01  0.398786D+01
      2  -0.406045D+01 -0.118642D+01 -0.559331D+00 -0.158855D+02  0.125142D+02
      3   0.117323D+02 -0.607153D+01  0.600540D+01  0.213971D+02 -0.187053D+02
               111           112           113           114           115 
      1  -0.360755D+01  0.292054D+01 -0.136605D+02  0.322529D+01 -0.952891D+01
      2   0.121618D+02  0.273325D+01  0.331475D+00  0.572380D+01 -0.498646D+01
      3  -0.139141D+02  0.853423D+00 -0.123699D+02 -0.505999D+00 -0.676800D+01
               116           117           118           119           120 
      1   0.195466D+02  0.133020D+02  0.963962D+00  0.123350D+01 -0.148169D+01
      2   0.148936D+02  0.126411D+02  0.998523D+00  0.132925D+01 -0.614304D+00
      3  -0.242609D+01 -0.254538D+01  0.623404D+01  0.330039D+01 -0.233325D+01
               121           122           123           124           125 
      1   0.455474D+00  0.483904D+01 -0.507506D+01  0.133478D+00 -0.384764D+01
      2   0.658181D+00  0.539711D+01 -0.383545D+01 -0.174538D+01 -0.514856D+01
      3   0.381650D+01  0.131411D+02 -0.539259D+01 -0.377576D+01 -0.895173D+01
               126           127           128           129           130 
      1   0.621080D+01 -0.239204D+01  0.126456D+01  0.328197D+01  0.745916D+00
      2   0.689971D+01 -0.170249D+01  0.208897D+01  0.488009D+01  0.110081D+01
      3   0.505860D+01 -0.550940D+01 -0.203262D+01  0.704418D+00 -0.843192D+00
               131           132           133           134           135 
      1  -0.234116D+00 -0.263418D+01  0.189895D+01 -0.446895D+00 -0.406182D+01
      2  -0.114696D+01 -0.334177D+01  0.216062D+00 -0.173661D+01 -0.579000D+01
      3   0.431748D+01  0.904912D+00  0.399657D+01 -0.859754D+00  0.163636D+00
               136           137           138           139           140 
      1  -0.120742D+00 -0.238098D+00 -0.174639D+00 -0.167184D+00 -0.329448D+00
      2  -0.302560D+01 -0.241989D+01  0.344038D+01 -0.344118D+01 -0.558087D+01
      3  -0.616654D+01 -0.375061D+01  0.218329D+01 -0.322190D+01 -0.132089D+02
               141           142           143           144           145 
      1  -0.102740D+01 -0.272562D+00  0.161075D+01 -0.534573D+00  0.516406D+00
      2   0.548556D+01  0.373600D+01  0.527492D+01 -0.924603D+01  0.375720D+01
      3   0.545157D+01  0.368944D+01  0.897799D+01 -0.505379D+01 -0.879552D+00
               146           147           148           149           150 
      1   0.728720D+00  0.118093D+01  0.392416D+00 -0.342651D+00 -0.453209D+00
      2  -0.443854D+00  0.705977D+01 -0.150254D+01  0.103343D+00 -0.111799D+01
      3  -0.549878D+01 -0.146384D+00 -0.430747D+01  0.207764D+01 -0.113720D+01
               151           152           153           154           155 
      1  -0.178254D+00  0.148876D+01  0.125341D+01 -0.676756D+01 -0.232730D+01
      2   0.215145D+01  0.223990D-01  0.696240D+01  0.140411D+01  0.547832D+00
      3   0.341064D+01 -0.223071D+01 -0.169895D+00  0.144560D+02  0.937525D+00
               156           157           158           159           160 
      1  -0.570976D+01 -0.135706D+01 -0.167901D+01 -0.184933D+01 -0.625379D+01
      2   0.262985D+01  0.207073D+00  0.421142D+00  0.399497D+00  0.166813D+00
      3   0.583955D+01  0.149071D+01  0.487390D+01  0.669294D+00  0.964006D+01
               161           162           163           164           165 
      1  -0.194997D+01 -0.909267D+01 -0.127644D+00 -0.290873D+00 -0.724045D+00
      2   0.124007D+01  0.192893D+01  0.381389D-01  0.626399D+00  0.329173D+00
      3   0.118905D+01  0.506150D+01  0.623173D+00  0.437362D+01 -0.113786D+01
               166           167           168           169           170 
      1   0.828268D+00  0.391705D+01 -0.718926D+01 -0.938116D+00 -0.185976D+01
      2   0.673844D+00 -0.889291D+00  0.655876D+00 -0.118345D+01  0.109300D+01
      3   0.557011D+01 -0.181348D+01  0.156320D+00 -0.125444D+01  0.388911D+01
               171           172           173           174           175 
      1   0.704039D+01  0.671667D+01 -0.727959D+00  0.512084D+01  0.124281D+00
      2  -0.626161D+00  0.334570D+01 -0.452423D+00  0.407798D+01  0.110600D+00
      3   0.171422D+00 -0.144356D+02 -0.159553D+01 -0.582574D+01 -0.106812D+01
               176           177           178           179           180 
      1   0.101630D+01 -0.368403D+00  0.622484D+01  0.250372D-01  0.830896D+01
      2   0.576164D+00  0.207489D+00  0.212419D+01 -0.119955D+01  0.417675D+01
      3  -0.494865D+01 -0.854809D+00 -0.964488D+01 -0.132830D+01 -0.507363D+01
               181           182           183           184           185 
      1  -0.327173D+00  0.724411D+00  0.232135D+01  0.181916D+01 -0.311227D+01
      2   0.223728D+00 -0.135753D+00  0.111183D+01  0.103415D+00 -0.200344D+01
      3  -0.291014D+01  0.312950D+01  0.105714D+01  0.433059D+01  0.409443D+01
               186           187           188           189           190 
      1  -0.640196D+01  0.155142D+01 -0.115499D+01 -0.664312D+01  0.140579D+01
      2  -0.225267D+01 -0.489531D+00 -0.170462D+01 -0.239175D+01 -0.443737D+01
      3   0.438757D+00  0.221545D+00  0.407342D+01 -0.174109D+00  0.831069D+01
               191           192           193           194           195 
      1  -0.932811D+00 -0.782047D+00 -0.112125D+01  0.122990D+01  0.207853D+00
      2   0.252143D+01  0.466686D+01  0.350566D+01 -0.381424D+01 -0.454254D+01
      3  -0.502524D+01 -0.350303D+01 -0.447213D+01  0.110601D+02  0.473534D+01
               196           197           198           199           200 
      1  -0.139548D+01  0.264747D+01  0.286984D+01 -0.148882D+01  0.119111D+00
      2   0.472751D+01 -0.363201D+01 -0.885500D+01  0.276587D+01  0.129331D+01
      3  -0.584202D+01  0.779144D+01  0.507044D+01  0.310393D+01 -0.414005D+01
               201           202           203           204           205 
      1  -0.265503D+01 -0.482223D+00  0.330205D+00 -0.144630D+01 -0.723880D+00
      2   0.607026D+01  0.224144D+01  0.940399D+00  0.259185D+01  0.196190D+01
      3   0.432038D+00 -0.293867D+01 -0.428214D+01 -0.105897D+01 -0.274240D+01
               206           207           208           209           210 
      1   0.130435D+01 -0.297436D+01 -0.203449D+01  0.258793D+01  0.301531D+01
      2   0.883900D+00  0.640822D+01  0.129317D+01 -0.167538D+01 -0.817120D+00
      3  -0.302580D+01  0.167122D+00 -0.839915D+01  0.450962D+01  0.363136D+01
               211           212           213           214           215 
      1   0.165116D+01 -0.520839D+01 -0.528184D+01  0.155641D+01 -0.481624D+01
      2  -0.121191D+01  0.341635D+01  0.229130D+01 -0.266689D+01  0.344276D+01
      3   0.502894D+01 -0.109532D+02 -0.461176D+01  0.592311D+01 -0.769049D+01
               216           217           218           219           220 
      1  -0.773794D+01  0.192818D+01  0.212597D+01 -0.341011D+01  0.137185D+01
      2   0.509437D+01 -0.407275D+00 -0.152988D+01  0.311016D+01 -0.706358D+00
      3  -0.505359D+01  0.558979D+01  0.568137D+00 -0.914044D+00  0.175706D+01
               221           222           223           224           225 
      1   0.134071D+01 -0.441046D+01 -0.161365D+01 -0.133843D+01  0.540502D+01
      2  -0.168440D+01  0.346976D+01 -0.657700D+00  0.145886D+01 -0.457262D+01
      3  -0.438925D+01  0.699597D+00 -0.364663D+01 -0.183979D+01 -0.171094D+00
               226           227           228           229           230 
      1   0.609177D+00  0.434903D+01  0.626545D-01  0.887331D+00 -0.189789D+01
      2  -0.649510D+01  0.461528D+01 -0.244224D+01  0.402589D+01 -0.385162D+01
      3  -0.811268D+01  0.628832D+01 -0.401648D+01  0.593212D+01 -0.566999D+01
               231           232           233           234           235 
      1  -0.112497D+01  0.939637D+00 -0.799225D+00  0.158530D+01  0.216064D+01
      2   0.284638D+01 -0.248289D+01  0.184309D+01 -0.262811D+01  0.859607D+00
      3   0.305856D+01 -0.120264D+01  0.198382D+01 -0.299979D+01  0.190876D+01
               236           237           238           239           240 
      1  -0.125048D+01 -0.361662D+01 -0.194702D+01 -0.671501D+00  0.510932D+01
      2   0.526642D+00  0.343819D+00 -0.160709D+01 -0.170992D+01 -0.532469D-01
      3  -0.936017D+00 -0.227955D+01 -0.199700D+01 -0.258390D+01  0.252033D+01
               241           242           243           244           245 
      1  -0.298281D+01  0.120928D+01  0.120621D+02 -0.188921D+01  0.295597D+01
      2  -0.172904D+01  0.117127D-01 -0.276244D+01  0.126315D+00  0.403788D+00
      3  -0.246647D+01 -0.351073D-01  0.260888D+01  0.272947D+01 -0.444003D+01
               246           247           248           249           250 
      1  -0.173159D+01  0.444898D+01 -0.847984D+01  0.292290D+01 -0.935954D+00
      2   0.159508D+01  0.360907D+01  0.139179D+01 -0.115072D+01  0.788586D+00
      3   0.189254D+01 -0.482189D+01  0.110890D+02 -0.468472D+01  0.158451D+01
               251           252           253           254           255 
      1   0.249710D+01 -0.211792D+01 -0.207759D+01 -0.112471D+01 -0.110896D+01
      2  -0.186052D+01  0.221913D+01 -0.735302D+00 -0.743442D+00 -0.381322D+01
      3  -0.168774D+01  0.300495D+01  0.301845D+01  0.648830D+00  0.182790D+01
               256           257           258           259           260 
      1   0.114434D+01  0.168433D+01  0.945494D+00  0.336078D+00  0.245484D+01
      2  -0.621084D+00  0.240114D+01  0.475016D+01 -0.436553D+00  0.262212D+01
      3  -0.438368D+00 -0.232135D+01 -0.286360D+01 -0.727638D+00 -0.234632D+01
               261           262           263           264           265 
      1   0.530749D+00 -0.539162D+01 -0.335702D+01  0.369294D+01 -0.213535D+01
      2   0.123580D+02  0.721527D+01  0.201467D+00 -0.979800D+00  0.350953D+01
      3  -0.260472D+01 -0.115979D+02 -0.392935D+01  0.465665D+01 -0.430975D+01
               266           267           268           269           270 
      1  -0.298606D+01  0.342582D+00  0.304505D+01  0.128008D+01 -0.305743D+01
      2  -0.884364D+00 -0.789268D+00 -0.405439D+00 -0.226341D+00 -0.431651D-01
      3  -0.227564D+01  0.192871D+01  0.231209D+01  0.260054D-01 -0.302027D+01
               271           272           273           274           275 
      1  -0.124657D+01  0.960484D+00 -0.329435D+01 -0.532201D+00 -0.280279D+00
      2  -0.968124D+00 -0.326943D+01 -0.530174D+01 -0.155017D+01  0.359255D-01
      3  -0.178514D+00  0.320581D+01  0.332979D+01  0.211814D+01 -0.468316D+00
               276           277           278           279           280 
      1  -0.540962D+00 -0.511504D+00  0.301216D+00 -0.842636D+01  0.443333D+01
      2  -0.357344D+00 -0.263900D+01 -0.246313D+01 -0.908446D+01  0.901696D+01
      3   0.708926D+00  0.120774D+01  0.214642D+01  0.261295D+01  0.130115D+02
               281           282           283           284           285 
      1  -0.286410D+01 -0.324563D+01 -0.819584D+00  0.204686D+01 -0.730911D+00
      2   0.133302D+01 -0.201325D+01 -0.152564D+01 -0.787015D+00  0.351792D+00
      3  -0.115471D+01 -0.498370D+01 -0.146797D+01  0.828104D+00  0.684460D+00
               286           287           288           289           290 
      1  -0.304098D+01  0.423703D+00  0.298055D+01  0.152125D+01  0.395709D+00
      2  -0.127959D+01  0.262168D+00  0.707018D+00 -0.166070D+01  0.294800D+01
      3  -0.225538D+01 -0.527133D+00  0.299483D+01 -0.105644D+01  0.281397D+01
               291           292           293           294           295 
      1   0.452160D+01 -0.608799D+00  0.350332D-01  0.566624D+00  0.116579D+01
      2  -0.417925D+01  0.982151D+00  0.126708D+01 -0.869105D+00 -0.292655D+01
      3  -0.337473D+01  0.173744D+01  0.177895D+01 -0.136642D+00 -0.165550D+01
               296           297           298           299           300 
      1  -0.459850D-01  0.104371D+02  0.201282D+00  0.942470D+00  0.606886D+00
      2   0.179120D+01 -0.663605D+01  0.129030D+01 -0.230741D+00  0.144463D+01
      3   0.182253D+01 -0.260145D+01 -0.104474D+01 -0.178089D+01 -0.649827D+00
               301           302           303           304           305 
      1   0.317266D+01  0.948661D+01  0.274617D+01  0.199752D+00  0.204368D+01
      2  -0.294829D+01  0.282454D+01  0.231664D+01  0.333202D+00  0.261961D+01
      3  -0.211069D+01 -0.128418D+02 -0.499605D+01 -0.111077D+01 -0.203623D+01
               306           307           308           309           310 
      1   0.150098D+01  0.196682D+01 -0.161945D+00  0.143783D+01  0.203032D+01
      2   0.268096D+01 -0.397745D+00 -0.132363D+00 -0.220341D+01  0.297734D+00
      3  -0.301996D+01 -0.270008D+01 -0.660121D+00 -0.104937D+01 -0.172636D+01
               311           312           313           314           315 
      1  -0.203522D+01  0.257291D+01 -0.959995D+00  0.290937D+01 -0.363706D+01
      2   0.213859D+01 -0.510555D+01 -0.679867D-01 -0.202076D+01  0.118178D+02
      3   0.208242D+01 -0.324501D+01  0.124279D+01 -0.212618D+01  0.262118D+01
               316           317           318           319           320 
      1  -0.632073D+00  0.449414D+01  0.648425D+00  0.992204D+00  0.449450D+01
      2  -0.457291D+01 -0.366351D+01 -0.152723D+01 -0.398052D+01 -0.519636D+01
      3   0.501918D+01  0.608581D+01  0.309901D+01  0.571426D+01  0.883815D+01
               321           322           323           324           325 
      1  -0.217548D+00 -0.208491D+00 -0.360657D+00 -0.867277D+00 -0.125886D+01
      2  -0.354797D+01 -0.208239D+01 -0.258564D+01 -0.294782D+01  0.106691D+00
      3   0.398390D+01  0.678841D+00  0.221703D+01  0.300348D+01 -0.894712D+00
               326           327           328           329           330 
      1  -0.165242D+01  0.204009D+01 -0.291691D+01  0.504804D-02  0.564040D+01
      2  -0.409138D+00  0.875771D+00  0.148863D+01 -0.129531D+01  0.160826D+01
      3  -0.183505D+01  0.156381D+01 -0.290907D+01  0.158579D+01  0.301455D+01
               331           332           333 
      1   0.291883D+01  0.195784D+01 -0.109524D+02
      2  -0.960317D+00  0.551889D-01 -0.572737D+01
      3   0.239032D+01  0.577461D+00 -0.261314D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.332863D+01 -0.420127D+01  0.155921D+00 -0.100398D+01  0.535823D+01
      2  -0.492013D+01 -0.111339D+01  0.131151D+02  0.268018D+00 -0.125147D+02
      3   0.159149D+01  0.531467D+01 -0.132711D+02  0.735962D+00  0.715646D+01
      4  -0.987135D+01 -0.175832D+02  0.189874D+02 -0.915389D+01 -0.160554D+02
      5   0.765262D+01  0.146154D+02 -0.352411D+01  0.144264D+02  0.657045D+01
      6   0.106210D+02  0.184552D+02 -0.994234D+00  0.174492D+02  0.161249D+01
                 6             7             8             9            10 
      1   0.153159D+02 -0.350360D+01  0.157023D+02  0.748826D+01 -0.225464D+02
      2  -0.900791D+01  0.151434D+02 -0.980703D+01 -0.118434D+02  0.142086D+02
      3  -0.630799D+01 -0.116398D+02 -0.589527D+01  0.435512D+01  0.833776D+01
      4   0.156349D+02  0.213041D+02  0.207133D+02 -0.897369D+01 -0.152481D+02
      5  -0.887613D+01 -0.335902D+01 -0.109009D+02  0.225658D+01 -0.147392D+02
      6  -0.103479D+02 -0.273835D+01 -0.152638D+02  0.146061D+01 -0.105424D+02
                11            12            13            14            15 
      1  -0.922673D+00 -0.645925D+01 -0.667351D+01 -0.629752D+01 -0.209162D+02
      2   0.201503D+01 -0.313543D+01  0.321913D+01  0.586734D+01  0.980455D+01
      3  -0.109236D+01  0.959469D+01  0.345438D+01  0.430181D+00  0.111116D+02
      4  -0.582081D+01 -0.224071D+02 -0.134628D+02 -0.419015D+00 -0.732123D+01
      5  -0.199784D+02 -0.123883D+02 -0.209477D+02 -0.811093D+00  0.144827D+01
      6  -0.765634D+01 -0.644823D+01 -0.755028D+01  0.758473D-01 -0.148519D+01
                16            17            18            19            20 
      1  -0.899438D+01 -0.231468D+02 -0.150675D+02  0.857287D+01  0.353056D+01
      2   0.230718D+00  0.134838D+02  0.107208D+02 -0.518166D+01 -0.720950D+01
      3   0.876366D+01  0.966297D+01  0.434671D+01 -0.339121D+01  0.367894D+01
      4  -0.270319D+02 -0.661875D+01 -0.278283D+01  0.195993D+02  0.578530D+00
      5  -0.179193D+02  0.126611D+01 -0.199247D+01  0.974388D+01  0.119882D+02
      6  -0.691802D+01 -0.719022D+00 -0.178143D+01  0.405902D+01 -0.721681D+00
                21            22            23            24            25 
      1   0.302163D+01  0.633927D+01 -0.211710D+01  0.122573D+02 -0.172144D+01
      2  -0.167036D+01 -0.633545D+01  0.266071D+01 -0.214060D+01  0.182004D-01
      3  -0.135127D+01 -0.381820D-02 -0.543609D+00 -0.101168D+02  0.170324D+01
      4   0.141937D+02  0.552108D+01  0.852771D+01  0.107776D+01  0.670408D+01
      5   0.590112D+01  0.114212D+02 -0.424281D+01  0.175514D+01  0.289194D+01
      6   0.443342D+01 -0.160471D+01  0.142256D+01 -0.299938D+01  0.267908D+01
                26            27            28            29            30 
      1   0.103156D+02  0.755682D+01 -0.124901D+02 -0.311417D-01  0.458997D+01
      2  -0.295668D+01  0.136480D+01  0.209249D+01  0.199572D-01 -0.460071D+01
      3  -0.735896D+01 -0.892162D+01  0.103976D+02  0.111846D-01  0.107395D-01
      4  -0.587250D+00  0.316247D+00 -0.287495D-01 -0.726057D+01  0.183088D+01
      5  -0.484763D+00 -0.435531D+01  0.226727D+01  0.909738D+00 -0.140820D+01
      6  -0.227996D+01 -0.589603D+01  0.908952D+00 -0.231663D+01  0.353646D-01
                31            32            33            34            35 
      1  -0.363969D-01  0.210086D+01  0.182480D+01  0.744493D+01  0.300993D+01
      2   0.696166D-01 -0.124740D+02 -0.182861D+01 -0.744304D+01 -0.301785D+01
      3  -0.332198D-01  0.103731D+02  0.380974D-02 -0.189644D-02  0.792304D-02
      4  -0.731468D+01 -0.380519D-04 -0.460813D+01  0.307141D+01 -0.742010D+01
      5   0.839188D+00 -0.228466D+01 -0.519334D-01  0.496268D+01 -0.300426D-01
      6  -0.228235D+01 -0.926742D+00 -0.141520D+01 -0.478635D-01  0.489616D+01
                36            37            38            39            40 
      1  -0.138976D+00  0.436956D+01 -0.224075D+01 -0.101137D+01 -0.579051D+01
      2  -0.205258D+00 -0.454462D+01  0.324604D+01 -0.910056D+01  0.309099D+01
      3   0.344234D+00  0.175060D+00 -0.100530D+01  0.101119D+02  0.269951D+01
      4  -0.284292D-01  0.992800D+01  0.107460D+02 -0.792275D+01  0.609041D+01
      5   0.236803D-01 -0.169564D+01 -0.274879D+01 -0.837254D+00 -0.379624D+01
      6   0.369130D-01 -0.230166D+01 -0.130002D+02  0.354630D+01 -0.133655D+02
                41            42            43            44            45 
      1   0.811928D+01 -0.585306D+01  0.139441D+01 -0.382904D+01  0.195858D+01
      2  -0.400245D+01  0.724128D+01 -0.802679D+01  0.743147D+01  0.698515D+01
      3  -0.411682D+01 -0.138822D+01  0.663238D+01 -0.360243D+01 -0.894373D+01
      4   0.164802D+02 -0.116766D+02 -0.422764D+01 -0.439396D+01  0.187520D+01
      5  -0.501470D+01  0.626048D+01 -0.138362D+01  0.383792D+01  0.682519D+01
      6  -0.146240D+01  0.366455D+01  0.714382D+00  0.199036D+01  0.262847D+01
                46            47            48            49            50 
      1   0.190317D+02  0.126358D+01  0.123334D+02 -0.379317D+01  0.562466D+00
      2  -0.167483D+02  0.288912D+01 -0.845143D+01  0.423158D+01  0.110039D+01
      3  -0.228333D+01 -0.415269D+01 -0.388200D+01 -0.438414D+00 -0.166286D+01
      4  -0.132563D+02 -0.335784D+01 -0.101905D+02  0.426973D+00 -0.904303D+01
      5   0.148955D+02 -0.651563D+01  0.679096D+01 -0.566921D+01 -0.825036D+01
      6   0.466978D+00 -0.291106D+01 -0.188154D+01 -0.367070D+01 -0.438376D+01
                51            52            53            54            55 
      1  -0.899018D+01  0.394732D+01 -0.846146D+01  0.731827D+01 -0.301863D+02
      2  -0.454538D+00 -0.372703D+01  0.909941D+00  0.160449D+01  0.218004D+02
      3   0.944472D+01 -0.220292D+00  0.755152D+01 -0.892276D+01  0.838587D+01
      4  -0.537835D+01 -0.510616D+01 -0.525693D+01  0.124753D+01  0.715950D+01
      5   0.852461D+00  0.308418D+01  0.189245D+01 -0.570245D+01 -0.265627D+02
      6  -0.399551D+01 -0.124950D+01 -0.250076D+01  0.460593D+01  0.710160D+01
                56            57            58            59            60 
      1  -0.285955D+01 -0.224159D+02  0.624172D+01 -0.319661D+01  0.174418D+02
      2  -0.329847D+00  0.102987D+02 -0.486694D+01  0.281043D+01 -0.911529D+01
      3   0.318939D+01  0.121172D+02 -0.137478D+01  0.386171D+00 -0.832651D+01
      4  -0.181364D+01  0.178028D+02 -0.677994D+01 -0.553231D+01  0.588297D+01
      5   0.145053D+02 -0.129108D+02  0.154375D+02  0.886710D+01 -0.442443D+01
      6  -0.400502D+00  0.344685D+01 -0.515397D-01 -0.911148D+00 -0.950922D+00
                61            62            63            64            65 
      1  -0.270763D+02  0.177651D+02 -0.147603D+02 -0.663092D+01  0.118854D+02
      2   0.161490D+02 -0.106425D+02  0.104166D+02  0.318541D+01 -0.560832D+01
      3   0.109274D+02 -0.712262D+01  0.434365D+01  0.344552D+01 -0.627703D+01
      4   0.197658D+02  0.854726D+01 -0.388155D+01  0.165925D+02 -0.149974D+02
      5  -0.181934D+02 -0.582052D+01 -0.240803D+01  0.189931D+02 -0.156075D+02
      6   0.234336D+01 -0.443435D+00  0.122001D+01 -0.145011D+02  0.102973D+02
                66            67            68            69            70 
      1   0.153991D+02  0.470756D+01  0.869660D+00 -0.181265D+02  0.140182D+02
      2  -0.961678D+00 -0.297492D+01 -0.620654D+01  0.153949D+02 -0.126240D+01
      3  -0.144375D+02 -0.173264D+01  0.533688D+01  0.273159D+01 -0.127558D+02
      4  -0.210190D+02 -0.815534D+01  0.124373D+02  0.239240D+01 -0.253540D+02
      5  -0.639754D+01 -0.151932D+02 -0.215790D+01  0.990561D+01 -0.750815D+01
      6   0.203238D+01  0.938362D+01  0.629186D+01 -0.747295D+01  0.477273D+01
                71            72            73            74            75 
      1  -0.213735D+02  0.182112D+01  0.940381D+01 -0.497369D+01 -0.798628D+01
      2   0.186353D+02 -0.615825D+01 -0.973265D+01  0.283305D+01 -0.145530D+01
      3   0.273815D+01  0.433714D+01  0.328840D+00  0.214065D+01  0.944158D+01
      4   0.550064D+01  0.125525D+02 -0.112606D+02  0.107852D+02  0.104183D+02
      5   0.129373D+02  0.255052D+01 -0.563170D+01  0.590761D+01  0.188223D+01
      6  -0.111385D+02 -0.850452D+00  0.757835D+01 -0.997095D+01 -0.405378D+01
                76            77            78            79            80 
      1   0.634735D+00  0.147037D+02  0.904231D+01 -0.254757D+01  0.475934D+01
      2   0.905813D+00 -0.104322D+02 -0.129404D+02 -0.296873D+01 -0.991741D+01
      3  -0.154055D+01 -0.427150D+01  0.389810D+01  0.551630D+01  0.515807D+01
      4   0.754436D+01 -0.661802D+01 -0.449563D+01  0.603138D+01  0.514129D+00
      5   0.699201D+01 -0.184976D+01 -0.674656D+01 -0.267643D-01 -0.436496D+01
      6  -0.100552D+02 -0.559692D+01  0.963475D+00 -0.121104D+01  0.608968D+00
                81            82            83            84            85 
      1   0.320718D+01 -0.352059D+01 -0.870990D+00  0.685279D+01 -0.374115D+01
      2   0.570764D+01  0.633329D+01  0.117892D+01  0.123338D+01  0.772545D+01
      3  -0.891482D+01 -0.281270D+01 -0.307925D+00 -0.808617D+01 -0.398430D+01
      4  -0.284237D+01 -0.879257D+01  0.104230D+00  0.745462D+01 -0.153227D+01
      5   0.729645D+01  0.812248D+01  0.162381D+01 -0.342986D+01  0.117886D+01
      6  -0.814822D+00  0.786880D+01 -0.149557D+01  0.365938D+01 -0.537586D+00
                86            87            88            89            90 
      1  -0.210501D+02  0.107795D+02  0.383870D+01  0.497135D+01  0.264540D+01
      2   0.221467D+02 -0.169966D+02  0.338192D+01 -0.717110D+01  0.629816D+01
      3  -0.109661D+01  0.621711D+01 -0.722063D+01  0.219974D+01 -0.894356D+01
      4  -0.141404D+01  0.156602D+01  0.728835D+01  0.551392D+00  0.252033D+01
      5  -0.609005D+01  0.977930D+00 -0.193853D+01  0.116663D+00 -0.292777D+01
      6  -0.153117D+02  0.631219D+01  0.326858D+01  0.253778D+01  0.672305D+01
                91            92            93            94            95 
      1  -0.113639D+01 -0.122925D+01 -0.347580D+00  0.488426D+01  0.225721D+02
      2  -0.236438D+00  0.686708D+00 -0.448931D+01 -0.999181D+01 -0.299618D+02
      3   0.137283D+01  0.542544D+00  0.483689D+01  0.510755D+01  0.738975D+01
      4  -0.760475D+01 -0.283874D+01 -0.132231D+02 -0.201921D+01 -0.571078D+01
      5  -0.323287D+01 -0.308695D+01 -0.204511D+01 -0.250830D+01  0.193591D+01
      6  -0.136264D+02 -0.368758D+01 -0.742917D+01 -0.287305D+01  0.323226D+02
                96            97            98            99           100 
      1  -0.175961D+02 -0.191791D+01 -0.235044D+02  0.669652D+01 -0.334771D+01
      2   0.314461D+02 -0.207066D+01  0.359203D+02 -0.110521D+02  0.208930D+00
      3  -0.138500D+02  0.398857D+01 -0.124159D+02  0.435554D+01  0.313878D+01
      4  -0.366813D+01 -0.156218D+02 -0.201198D+01 -0.977759D+01  0.894947D+01
      5   0.474649D+00 -0.256357D+01 -0.193959D+01 -0.550273D+00 -0.724174D+01
      6  -0.118485D+02 -0.101308D+02 -0.160743D+02  0.259655D+01  0.107708D+02
               101           102           103           104           105 
      1  -0.268545D+01 -0.110070D+02 -0.812730D+01  0.149009D+02  0.138784D+02
      2   0.433928D+01  0.986314D+01  0.143570D+02 -0.205268D+02 -0.285249D+02
      3  -0.165383D+01  0.114385D+01 -0.622967D+01  0.562589D+01  0.146465D+02
      4  -0.432650D+01  0.985527D+01 -0.774663D+01  0.153391D+02  0.117589D+02
      5  -0.645569D+00 -0.439265D+01 -0.140768D+01  0.107470D+02  0.147114D+01
      6   0.815027D+01  0.938332D+01  0.877762D+01 -0.291906D+02 -0.946168D+01
               106           107           108           109           110 
      1  -0.145408D+02  0.175085D+02  0.715830D+00 -0.906696D+01  0.328807D+01
      2   0.138419D+02 -0.305260D+02 -0.506270D+01  0.128286D+02 -0.288438D+01
      3   0.698854D+00  0.130175D+02  0.434687D+01 -0.376164D+01 -0.403690D+00
      4   0.991460D+01  0.159049D+02  0.128660D+02  0.379422D+01  0.405142D+01
      5  -0.641976D+01  0.446911D+01  0.120335D+00  0.910599D+01  0.375753D+01
      6   0.126662D+02 -0.121992D+02 -0.264005D+01 -0.367278D+01 -0.633345D+01
               111           112           113           114           115 
      1   0.122998D+02  0.638109D+01 -0.171183D+02 -0.684637D+01  0.828970D+01
      2  -0.604302D+01 -0.968788D+01  0.172783D+02  0.149297D+02 -0.185944D+01
      3  -0.625674D+01  0.330679D+01 -0.160001D+00 -0.808329D+01 -0.643026D+01
      4  -0.356482D+01  0.495360D+01 -0.793468D+01 -0.657093D+01 -0.536940D+01
      5  -0.168115D+01  0.399691D+01 -0.903264D+01 -0.302123D+01 -0.782648D+00
      6  -0.576570D+01 -0.525480D+01  0.114007D+02  0.454229D+01 -0.415322D+01
               116           117           118           119           120 
      1  -0.240761D+01  0.413285D+01 -0.411684D+01 -0.718661D+01  0.188131D+01
      2   0.637477D+01  0.480325D+01  0.512064D+01  0.647727D+01 -0.302204D+01
      3  -0.396716D+01 -0.893610D+01 -0.100379D+01  0.709339D+00  0.114073D+01
      4  -0.399290D+01 -0.309417D+01 -0.244475D+01  0.411624D+01  0.350862D-01
      5  -0.998238D+00 -0.111181D+01  0.550374D+00  0.137834D+01  0.738686D+00
      6   0.141415D+01 -0.725704D+01 -0.198872D+01 -0.221145D+01  0.130175D+01
               121           122           123           124           125 
      1  -0.578313D+01 -0.154245D+02  0.672853D+01  0.365011D+01  0.112394D+02
      2   0.141002D+01  0.286484D+02 -0.990174D+01 -0.161998D+01 -0.151734D+02
      3   0.437311D+01 -0.132239D+02  0.317321D+01 -0.203013D+01  0.393396D+01
      4   0.867303D+01 -0.208342D+02  0.542793D+01 -0.237821D+01  0.105008D+02
      5   0.112124D+00  0.665635D+01 -0.640031D+01  0.317833D+01 -0.902162D+01
      6  -0.626415D+00 -0.107172D+02  0.898398D+01 -0.139461D+01  0.124605D+02
               126           127           128           129           130 
      1  -0.635043D+01  0.359667D+02 -0.144110D+02 -0.115156D+02 -0.752305D+01
      2   0.763987D+01 -0.144041D+02  0.147495D+01  0.469886D+01 -0.368439D+01
      3  -0.128944D+01 -0.215626D+02  0.129361D+02  0.681679D+01  0.112074D+02
      4  -0.753247D+01 -0.350938D+02  0.242634D+02  0.146125D+02  0.232929D+02
      5   0.934365D+01 -0.211939D+02  0.118768D+02  0.143703D+02  0.957672D+01
      6  -0.115841D+02  0.111862D+02 -0.718552D+01 -0.724310D+01 -0.793536D+01
               131           132           133           134           135 
      1   0.482445D+01  0.284812D+01 -0.144822D+02  0.687399D+01  0.680340D+01
      2   0.702786D+01  0.117119D+01  0.671503D+01 -0.172859D+01 -0.419747D+01
      3  -0.118523D+02 -0.401931D+01  0.776720D+01 -0.514540D+01 -0.260593D+01
      4  -0.245749D+02 -0.108245D+02  0.210581D+02 -0.166882D+02 -0.163329D+02
      5  -0.955020D+01 -0.763820D+01  0.201972D+02 -0.138747D+02 -0.187324D+02
      6   0.776090D+01  0.783224D+01 -0.116943D+02  0.115313D+02  0.122195D+02
               136           137           138           139           140 
      1   0.229886D+02  0.906200D+01 -0.458119D+01  0.154527D+02  0.758544D+01
      2  -0.133062D+02 -0.480327D+01  0.313942D+01 -0.753918D+01 -0.306551D+01
      3  -0.968239D+01 -0.425873D+01  0.144177D+01 -0.791357D+01 -0.451993D+01
      4   0.804354D+01  0.707397D+01 -0.414692D+01  0.102645D+02  0.184122D+02
      5  -0.555765D+01 -0.425305D+01  0.744751D+01 -0.625055D+01 -0.853128D+01
      6  -0.145467D+01 -0.802906D+00  0.251888D+00 -0.101196D+01 -0.236971D+01
               141           142           143           144           145 
      1  -0.542022D+01 -0.112842D+02 -0.646373D+01  0.823869D+01  0.677844D+02
      2   0.238027D+01  0.706906D+01  0.513535D+01 -0.694787D+01 -0.390506D+02
      3   0.303995D+01  0.421517D+01  0.132838D+01 -0.129082D+01 -0.287338D+02
      4  -0.755693D+01 -0.744259D+01 -0.111168D+02  0.692494D+01 -0.173184D+02
      5   0.793922D+01  0.130616D+02  0.840405D+01 -0.147902D+02  0.304374D+02
      6   0.227280D+01  0.773335D+00  0.256247D+01 -0.151782D+01 -0.651537D+01
               146           147           148           149           150 
      1  -0.693447D+01  0.217524D+02 -0.872491D+01  0.837195D+01 -0.371656D+01
      2   0.284261D+01 -0.140992D+02  0.290018D+01 -0.369593D+01  0.170559D+01
      3   0.409187D+01 -0.765327D+01  0.582474D+01 -0.467602D+01  0.201097D+01
      4   0.102179D+02 -0.645758D+01  0.162447D+02 -0.727939D+01  0.518804D+01
      5  -0.488185D+01  0.185174D+02 -0.597073D+01  0.467290D+01 -0.313292D+01
      6   0.186764D+01 -0.353057D+01  0.402878D+01 -0.197742D+01  0.368787D+01
               151           152           153           154           155 
      1   0.311425D+02 -0.410683D+01  0.175858D+02  0.580395D+01 -0.416103D+01
      2  -0.220245D+02  0.221571D+01 -0.149842D+02  0.213915D+01  0.125354D+02
      3  -0.911810D+01  0.189112D+01 -0.260161D+01 -0.794310D+01 -0.837440D+01
      4  -0.107404D+02  0.452119D+01 -0.563647D+01  0.245107D+02  0.123726D+02
      5   0.286094D+02 -0.334727D+01  0.218698D+02  0.557437D+01  0.189497D+01
      6  -0.553337D+01  0.311522D+01 -0.469933D+01  0.989011D+01  0.444876D+01
               156           157           158           159           160 
      1   0.178627D+01 -0.366665D+01 -0.552988D+01 -0.101983D+01  0.726856D+00
      2   0.152800D+01  0.838792D+01  0.117678D+02  0.162636D+01  0.165509D+01
      3  -0.331427D+01 -0.472126D+01 -0.623795D+01 -0.606526D+00 -0.238194D+01
      4   0.966385D+01  0.731139D+01  0.101364D+02  0.310556D+01  0.150070D+02
      5   0.472296D+01  0.116091D+01  0.183722D+01  0.100241D+01  0.563059D+01
      6   0.869492D+01  0.255784D+01  0.273607D+01  0.501952D+01  0.104491D+02
               161           162           163           164           165 
      1  -0.232549D+01 -0.238880D+01 -0.441529D+01  0.495556D+00  0.995583D-01
      2   0.605654D+01  0.366831D+01  0.824051D+01  0.491467D+00 -0.181023D+00
      3  -0.373106D+01 -0.127951D+01 -0.382522D+01 -0.987023D+00  0.814644D-01
      4   0.739586D+01  0.983699D+01  0.229117D+01  0.137574D+02 -0.392024D+01
      5   0.281160D+01  0.537500D+01 -0.215838D+00 -0.272813D+01  0.302584D+01
      6   0.100182D+02  0.139198D+02 -0.378584D+01 -0.644045D+00  0.110968D+01
               166           167           168           169           170 
      1  -0.249344D+01 -0.425794D+02  0.154038D+02  0.233567D+01  0.240192D+02
      2   0.520717D+01  0.721570D+02 -0.233116D+02 -0.291443D+01 -0.333135D+02
      3  -0.271373D+01 -0.295776D+02  0.790777D+01  0.578754D+00  0.929436D+01
      4   0.903207D+01  0.677136D+01 -0.261034D+01 -0.333374D+01 -0.350646D+01
      5  -0.930298D+00 -0.847068D+00  0.701073D+00  0.262942D+01  0.156706D+01
      6  -0.225406D+01 -0.323026D+02  0.191726D+02  0.375776D+01  0.290810D+02
               171           172           173           174           175 
      1  -0.155785D+02  0.174222D+02  0.144761D+01  0.648470D+01  0.372663D+01
      2   0.181844D+02 -0.638153D+01 -0.855217D+01 -0.313272D+01 -0.717559D+01
      3  -0.260588D+01 -0.110407D+02  0.710457D+01 -0.335198D+01  0.344895D+01
      4   0.343138D+01 -0.258915D+02  0.114987D+02 -0.891506D+01  0.593964D+01
      5  -0.122875D+01  0.871187D+01 -0.130703D+01  0.712239D+01 -0.127715D+00
      6  -0.223117D+02 -0.922897D+01  0.195003D+01 -0.813566D+01  0.327818D+00
               176           177           178           179           180 
      1   0.813275D+00  0.100858D+01  0.836589D+01  0.300221D+00  0.284750D+01
      2   0.229239D+01 -0.740644D+00 -0.511907D+01 -0.330578D+01 -0.156829D+01
      3  -0.310566D+01 -0.267941D+00 -0.324683D+01  0.300555D+01 -0.127921D+01
      4  -0.756607D+01  0.112818D+01 -0.150065D+02  0.484428D+01 -0.100441D+02
      5   0.167063D+01 -0.444631D+00  0.917469D+01 -0.302094D+01  0.873756D+01
      6  -0.109164D+01  0.259833D+01 -0.106650D+02  0.646259D+01 -0.120989D+02
               181           182           183           184           185 
      1  -0.198194D+01  0.597444D+00  0.117325D+01  0.540499D+01 -0.323355D+02
      2   0.838871D+01 -0.768771D+01 -0.326509D+01 -0.142213D+02  0.593672D+02
      3  -0.640677D+01  0.709026D+01  0.209183D+01  0.881634D+01 -0.270317D+02
      4  -0.123296D+02  0.177147D+02  0.636269D+01  0.154929D+02 -0.269061D+02
      5  -0.272932D+01  0.445858D+01  0.451143D+01  0.312694D+01 -0.746881D+01
      6   0.583499D+01 -0.655669D+01 -0.496615D+01 -0.856161D+01  0.287820D+02
               186           187           188           189           190 
      1  -0.117002D+02  0.507270D+01 -0.178773D+02 -0.116992D+02  0.315372D+02
      2   0.193312D+02 -0.799671D+01  0.267240D+02  0.143094D+02 -0.192051D+02
      3  -0.763107D+01  0.292401D+01 -0.884671D+01 -0.261019D+01 -0.123321D+02
      4  -0.105165D+02  0.841388D+01 -0.155196D+02 -0.112835D+02 -0.537965D+00
      5  -0.455134D+01  0.564534D+01 -0.772249D+01 -0.685486D+01 -0.856350D+01
      6   0.176675D+02 -0.991282D+01  0.260437D+02  0.212461D+02 -0.230042D+00
               191           192           193           194           195 
      1  -0.750243D+01 -0.812657D+01 -0.148937D+02  0.893411D+01  0.679214D+01
      2   0.530962D+01  0.594896D+01  0.903540D+01 -0.708626D+01 -0.422009D+01
      3   0.219281D+01  0.217761D+01  0.585825D+01 -0.184784D+01 -0.257205D+01
      4   0.613223D+01  0.283527D+01  0.663981D+01 -0.109636D+02 -0.409179D+01
      5   0.439199D+01  0.912158D+01  0.638171D+01 -0.606215D+01 -0.614921D+01
      6   0.209529D+00  0.154253D+01  0.510886D+00  0.343272D+00  0.597439D+00
               196           197           198           199           200 
      1  -0.161720D+02  0.729802D+01  0.106551D+02  0.489839D+02  0.130780D+02
      2   0.117449D+02 -0.710254D+01 -0.936916D+01 -0.242291D+02 -0.371820D+01
      3   0.442710D+01 -0.195482D+00 -0.128592D+01 -0.247548D+02 -0.935981D+01
      4   0.360990D+01 -0.614343D+01 -0.231587D+01  0.323028D+02  0.173323D+02
      5   0.146390D+02 -0.524992D+01 -0.147337D+02  0.240447D+02  0.949841D+01
      6   0.238735D+01  0.991719D+00 -0.229874D+01  0.112437D+02  0.518305D+01
               201           202           203           204           205 
      1   0.155329D+02  0.117702D+02  0.745288D+01  0.491324D+01  0.213301D+02
      2  -0.863808D+01 -0.690088D+00  0.120192D+01 -0.103257D+01 -0.129905D+02
      3  -0.689482D+01 -0.110801D+02 -0.865480D+01 -0.388068D+01 -0.833962D+01
      4   0.124675D+02  0.230203D+02  0.182938D+02  0.931167D+01  0.202811D+02
      5   0.159245D+02  0.998767D+01  0.775130D+01  0.633244D+01  0.247825D+02
      6   0.673949D+01  0.754291D+01  0.586947D+01  0.627293D+01  0.112119D+02
               206           207           208           209           210 
      1   0.712772D+01  0.127169D+02 -0.718355D+01  0.836886D+01  0.364350D+01
      2  -0.298265D+01 -0.101142D+02  0.771759D+01 -0.109917D+02 -0.554927D+01
      3  -0.414507D+01 -0.260265D+01 -0.534039D+00  0.262280D+01  0.190576D+01
      4   0.110002D+02  0.128996D+02 -0.365430D+01  0.404208D+01  0.980045D+00
      5   0.902834D+01  0.199490D+02  0.450963D+00 -0.162922D+01  0.205323D-01
      6   0.693349D+01  0.100884D+02  0.348023D+01 -0.472866D+01 -0.364661D+01
               211           212           213           214           215 
      1   0.514503D+01 -0.203458D+02 -0.765932D+01  0.580058D+01 -0.136784D+02
      2  -0.411467D+01  0.340051D+02  0.104309D+02 -0.483352D+01  0.179955D+02
      3  -0.103037D+01 -0.136593D+02 -0.277157D+01 -0.967061D+00 -0.431705D+01
      4   0.639867D+01  0.108192D+02  0.929356D+00  0.257632D+01  0.343969D+01
      5  -0.807363D+00  0.330764D+01  0.404561D+01  0.122301D+01  0.608921D+01
      6  -0.287722D+01  0.106570D+02  0.971265D+01 -0.154256D+01  0.144236D+02
               216           217           218           219           220 
      1  -0.915358D+01  0.146833D+02  0.718114D+01 -0.383737D+01  0.154653D+01
      2   0.104451D+02  0.319855D+00  0.658587D+01 -0.173228D+01  0.104844D+02
      3  -0.129149D+01 -0.150031D+02 -0.137670D+02  0.556965D+01 -0.120309D+02
      4   0.314255D+01  0.301511D+02  0.274793D+02 -0.136646D+02  0.236603D+02
      5   0.610206D+01 -0.128349D+02 -0.111248D+02  0.102950D+02 -0.870778D+01
      6   0.135840D+02 -0.108695D+02 -0.102138D+02  0.789118D+01 -0.103490D+02
               221           222           223           224           225 
      1  -0.631797D+01  0.165878D+01 -0.315929D+01  0.111677D+01 -0.193953D+01
      2   0.247213D+02 -0.727587D+01 -0.304731D+01 -0.806670D+01  0.454528D+01
      3  -0.184033D+02  0.561710D+01  0.620660D+01  0.694993D+01 -0.260574D+01
      4   0.336520D+02 -0.137605D+02 -0.185481D+02 -0.220851D+02  0.169280D+02
      5  -0.120894D+02  0.828611D+01  0.133494D+02  0.143572D+02 -0.150127D+02
      6  -0.152676D+02  0.119137D+02  0.121689D+02  0.183758D+02 -0.165779D+02
               226           227           228           229           230 
      1  -0.587806D+01  0.963270D+01 -0.707161D+01  0.615398D+01 -0.140546D+02
      2   0.504940D+01 -0.924330D+01  0.447548D+01 -0.507953D+01  0.180082D+02
      3   0.828665D+00 -0.389406D+00  0.259613D+01 -0.107445D+01 -0.395355D+01
      4  -0.100305D+02  0.265697D+01 -0.226978D+01  0.710003D+01 -0.454773D+01
      5   0.339031D+01 -0.221667D+01  0.146756D+01 -0.165934D+01  0.213107D+01
      6  -0.448365D+01  0.120870D+02 -0.869236D+01  0.549354D+01 -0.135238D+02
               231           232           233           234           235 
      1   0.806531D+01 -0.275188D+01  0.581469D+01 -0.747038D+01  0.156532D+01
      2  -0.675853D+01  0.147938D+01 -0.239712D+01  0.147350D+01 -0.505563D+01
      3  -0.130678D+01  0.127251D+01 -0.341758D+01  0.599688D+01  0.349031D+01
      4   0.338718D+01 -0.122713D+01  0.405075D+01 -0.326779D+01  0.272484D+01
      5  -0.564146D+00  0.198059D+01 -0.105458D+01  0.328619D+00 -0.638979D+01
      6   0.964701D+01 -0.435513D+01  0.748987D+01 -0.906403D+01 -0.219965D+01
               236           237           238           239           240 
      1   0.271037D+00 -0.680366D+00 -0.349317D+00 -0.763357D-01 -0.123445D+01
      2   0.647813D+00  0.706311D+01  0.149279D+01 -0.396445D+01 -0.611051D+01
      3  -0.918850D+00 -0.638275D+01 -0.114347D+01  0.404078D+01  0.734496D+01
      4   0.248982D+01 -0.161542D+01 -0.228416D+01 -0.608364D+01  0.887660D+00
      5  -0.426072D+00  0.923153D+01  0.229963D+01 -0.626125D-01 -0.462202D+01
      6  -0.217727D+00  0.315667D+01  0.195127D+01  0.259018D+01 -0.394524D+00
               241           242           243           244           245 
      1   0.541901D+00  0.237014D+01 -0.111322D+02  0.105518D+02 -0.378323D+01
      2   0.523437D+01 -0.253680D+01 -0.181900D+02 -0.656459D+01  0.354013D+01
      3  -0.577627D+01  0.166660D+00  0.293222D+02 -0.398720D+01  0.243105D+00
      4  -0.327931D+01 -0.305316D+01  0.376230D+00 -0.792838D+01  0.801314D+01
      5   0.711601D+01  0.897487D+00 -0.161769D+02  0.773465D+01 -0.604700D+01
      6   0.281829D+01  0.479387D+01 -0.135576D+02 -0.340558D+01  0.276669D+01
               246           247           248           249           250 
      1   0.316721D+01 -0.969677D+01  0.199121D+01 -0.347365D+01 -0.393218D+00
      2  -0.373923D+01  0.877094D+01 -0.285629D+01  0.633351D+01 -0.256793D+01
      3   0.572021D+00  0.925830D+00  0.865087D+00 -0.285985D+01  0.296115D+01
      4  -0.515380D+01  0.612011D+01 -0.155751D+02  0.648317D+01 -0.482734D+01
      5   0.668882D+01 -0.122808D+02  0.811224D+01 -0.101414D+02  0.571526D+01
      6  -0.201117D+01  0.504568D+01 -0.668463D+01  0.439176D+01 -0.207996D+01
               251           252           253           254           255 
      1  -0.457938D+00 -0.824212D+00 -0.601234D+01  0.972749D+00  0.361077D+01
      2   0.259092D+01 -0.517686D+01  0.254914D+01  0.166597D+00  0.178509D+01
      3  -0.213298D+01  0.600107D+01  0.346320D+01 -0.113935D+01 -0.539585D+01
      4   0.352977D+01 -0.508926D+01 -0.377352D+01 -0.306328D+00 -0.105665D+01
      5  -0.537816D+01  0.864980D+01 -0.261561D+01 -0.739274D+00 -0.113350D+00
      6   0.374356D+01 -0.272400D+01  0.729498D+00 -0.363856D+00 -0.206300D+01
               256           257           258           259           260 
      1   0.266154D+01 -0.399550D+01 -0.690745D+01  0.274491D+01 -0.411039D+01
      2  -0.173015D+01 -0.562916D-01 -0.118573D+01 -0.412284D+01 -0.151741D+01
      3  -0.931385D+00  0.405179D+01  0.809318D+01  0.137793D+01  0.562780D+01
      4   0.419504D+01  0.356878D+01  0.376691D+01  0.237698D+01  0.349593D+01
      5   0.206828D+01  0.391977D+01  0.570829D+01  0.590448D+01  0.316445D+01
      6   0.167139D+01  0.559318D+01  0.894257D+01  0.124086D+01  0.602248D+01
               261           262           263           264           265 
      1  -0.175222D+02  0.198224D+02  0.335836D+01 -0.696005D+01  0.176221D+01
      2  -0.118250D+02 -0.176819D+02 -0.613044D+01  0.938469D+01 -0.385004D+01
      3   0.293472D+02 -0.214047D+01  0.277207D+01 -0.242464D+01  0.208783D+01
      4   0.213670D+01 -0.121315D+02  0.587560D+01  0.600746D+01  0.340897D+00
      5   0.173556D+02 -0.183981D+02  0.180871D+01  0.115968D+02 -0.418532D+01
      6   0.120334D+02  0.584143D+01 -0.246725D+01 -0.527977D+01  0.342085D+00
               266           267           268           269           270 
      1   0.515169D+01 -0.841502D-01 -0.408446D+01  0.646837D+00  0.206429D+01
      2  -0.414857D+01  0.168429D+01  0.767456D+01 -0.125282D+01 -0.804962D+01
      3  -0.100312D+01 -0.160014D+01 -0.359010D+01  0.605987D+00  0.598533D+01
      4   0.868634D+00  0.994241D+00  0.191163D+01  0.290493D+00 -0.222493D+01
      5   0.677483D-01  0.284084D+01  0.843988D+01  0.628079D+00 -0.800740D+01
      6  -0.165828D+01 -0.504925D+00 -0.267122D+01  0.101031D+01  0.422531D+01
               271           272           273           274           275 
      1  -0.337169D+00 -0.614566D+01 -0.815186D+01 -0.153690D+01 -0.314797D+01
      2  -0.444865D+01  0.576069D+01 -0.138094D+01  0.136915D+01  0.413607D+00
      3   0.478582D+01  0.384966D+00  0.953280D+01  0.167753D+00  0.273436D+01
      4   0.438121D+01 -0.200187D+01  0.270384D+01 -0.248718D+00  0.184842D+01
      5   0.178018D+01 -0.829694D+00  0.263597D+01 -0.311604D+00  0.177727D+01
      6   0.179634D+01  0.574457D+01  0.842355D+01  0.230960D+01  0.359455D+01
               276           277           278           279           280 
      1  -0.283446D+01 -0.227842D+01 -0.665637D+01 -0.167856D+02  0.127948D+02
      2   0.959736D+00 -0.738334D+00  0.171871D+01 -0.125675D+02 -0.119230D+02
      3   0.187472D+01  0.301675D+01  0.493766D+01  0.293531D+02 -0.871734D+00
      4   0.137151D+01  0.335058D+01 -0.149637D+01  0.285502D+01  0.181804D+02
      5   0.641372D+00  0.376656D+01 -0.896198D+00 -0.368769D+01 -0.159773D+02
      6   0.620862D+01  0.102561D+01  0.816817D+01  0.208160D+02 -0.919153D+01
               281           282           283           284           285 
      1  -0.357174D+01 -0.272683D+01  0.501849D+00  0.360549D+01 -0.124561D+01
      2   0.631196D+01  0.547404D+01  0.155573D+01 -0.133488D+01  0.316773D+00
      3  -0.274022D+01 -0.274721D+01 -0.205758D+01 -0.227062D+01  0.928840D+00
      4   0.715512D+01 -0.926795D+01  0.328008D+01  0.312380D+01 -0.109122D+01
      5  -0.521754D+01  0.102163D+02 -0.139779D+00 -0.688949D+00 -0.252317D-01
      6  -0.568982D+01  0.808777D+01 -0.144483D+01  0.484105D+00  0.875513D+00
               286           287           288           289           290 
      1  -0.214262D+01 -0.124818D+01  0.322088D+00 -0.611709D+00  0.670912D+01
      2   0.545820D+01  0.274955D+01 -0.630234D+01 -0.418519D+01 -0.686218D+01
      3  -0.331558D+01 -0.150137D+01  0.598026D+01  0.479690D+01  0.153056D+00
      4  -0.434639D+01 -0.136171D+01  0.443040D+01 -0.321037D+01  0.981291D+00
      5   0.746295D+01  0.107444D+01 -0.667354D+01  0.242730D+01 -0.709081D+00
      6   0.436935D+01  0.199985D+01 -0.612679D+01 -0.338161D+01  0.567231D+01
               291           292           293           294           295 
      1  -0.666942D+01  0.183409D+01  0.138489D+00  0.202992D+00 -0.226363D+01
      2  -0.302824D+01 -0.220521D+01 -0.285883D+01 -0.834665D+00 -0.190923D+01
      3   0.969767D+01  0.371125D+00  0.272034D+01  0.631673D+00  0.417286D+01
      4  -0.443128D+01  0.280628D+00 -0.209982D+01  0.103389D+01 -0.338023D+01
      5   0.508664D+01 -0.348376D+00  0.237345D+01 -0.945951D+00  0.407816D+01
      6  -0.870507D+01  0.222670D+01 -0.903330D+00  0.372504D+01 -0.210384D+01
               296           297           298           299           300 
      1   0.646443D+01 -0.151002D+02  0.363239D+01  0.191319D+01  0.283727D+00
      2  -0.246352D+01 -0.142427D+02 -0.252691D+00 -0.560601D+00 -0.117079D+00
      3  -0.400091D+01  0.293428D+02 -0.337970D+01 -0.135259D+01 -0.166648D+00
      4  -0.113032D+00 -0.352755D+01  0.676690D+01  0.667962D+01  0.395010D+01
      5  -0.188518D+00  0.172494D+01  0.274698D+01  0.426169D+01  0.358532D+01
      6   0.783821D+01 -0.210421D+02  0.248563D+01  0.261968D+01  0.178992D+01
               301           302           303           304           305 
      1   0.799904D+01 -0.405772D+01 -0.284513D+00 -0.242296D+01 -0.215489D+01
      2  -0.597131D+01  0.377338D+01 -0.263513D+01  0.995329D-01 -0.668448D+00
      3  -0.202772D+01  0.284337D+00  0.291965D+01  0.232343D+01  0.282334D+01
      4   0.776753D+01  0.190868D+02  0.936695D+01  0.361098D+01  0.491048D+01
      5   0.969645D+01  0.100413D+02  0.992911D+01  0.376606D+01  0.538858D+01
      6   0.640630D+01  0.113041D+02  0.754382D+01  0.208621D+01  0.571603D+01
               306           307           308           309           310 
      1  -0.361489D+01 -0.566785D+01 -0.174564D+01  0.168770D+01 -0.539955D+01
      2  -0.240319D+01  0.266882D+01  0.882161D+00  0.145470D+01  0.475789D+01
      3   0.601808D+01  0.299903D+01  0.863482D+00 -0.314240D+01  0.641666D+00
      4   0.550478D+01  0.326472D+00  0.695692D+00  0.125914D+00  0.372586D+01
      5   0.769293D+01 -0.143935D+01 -0.947356D+00  0.138650D+01 -0.418722D+01
      6   0.483306D+01 -0.179379D+01  0.507450D+00  0.868272D-01  0.178816D+01
               311           312           313           314           315 
      1  -0.362080D+01  0.529985D+01  0.281061D+01  0.304342D+01 -0.161002D+02
      2  -0.907760D+00  0.391240D+01 -0.556964D+01  0.206093D+01 -0.132296D+02
      3   0.452856D+01 -0.921225D+01  0.275903D+01 -0.510435D+01  0.293299D+02
      4  -0.321784D+01  0.488502D+01 -0.132948D+01  0.347498D+01 -0.326348D+01
      5   0.433280D+01 -0.770731D+01  0.699889D+01 -0.290976D+01  0.198376D+02
      6  -0.401099D+01  0.748114D+01 -0.976639D+00  0.493350D+01 -0.725288D+01
               316           317           318           319           320 
      1  -0.579244D+01 -0.752291D+01 -0.498036D+01 -0.670870D+01 -0.185123D+02
      2   0.563089D+01  0.604844D+01  0.279238D+01  0.455312D+01  0.217772D+02
      3   0.161558D+00  0.147447D+01  0.218798D+01  0.215559D+01 -0.326493D+01
      4   0.516032D+01  0.570024D-01 -0.666767D+00  0.579530D+01 -0.298625D+01
      5   0.210575D+01 -0.249104D-01 -0.282020D+00  0.111609D+01 -0.131488D+01
      6   0.131080D+01  0.904637D+01  0.610547D+01  0.251573D+01  0.174952D+02
               321           322           323           324           325 
      1  -0.103818D+02 -0.112617D+01 -0.782741D+01 -0.851578D+01  0.215616D+01
      2   0.844976D+01  0.763592D+00  0.419234D+01  0.250223D+01 -0.516889D+01
      3   0.193204D+01  0.362580D+00  0.363507D+01  0.601355D+01  0.301273D+01
      4  -0.881551D+00 -0.350854D+00  0.148143D+01  0.648825D+00 -0.459048D+00
      5  -0.203991D+01  0.101168D+01 -0.648938D+00 -0.198350D+01 -0.571668D+01
      6   0.114065D+02  0.265206D+01  0.847968D+01  0.887402D+01 -0.116197D-02
               326           327           328           329           330 
      1  -0.806161D-01 -0.122746D+01  0.279699D+01 -0.298106D+01  0.826507D+00
      2  -0.585754D+00  0.553794D+01 -0.367853D+01 -0.152637D+01  0.790281D+01
      3   0.666370D+00 -0.431047D+01  0.881541D+00  0.450743D+01 -0.872932D+01
      4   0.490461D+00 -0.389937D+00 -0.330681D+01  0.599268D+01 -0.528084D+00
      5  -0.120855D+01  0.826293D+01 -0.438926D+01 -0.422880D+00  0.691074D+01
      6   0.569806D+00 -0.872563D+00  0.197692D+01 -0.204167D+01  0.581010D+00
               331           332           333 
      1  -0.592040D+00 -0.719973D+00 -0.113923D+02
      2   0.615333D+01  0.235006D+01 -0.179394D+02
      3  -0.556129D+01 -0.163009D+01  0.293317D+02
      4   0.262489D+01 -0.330178D+01  0.140576D+01
      5   0.790282D+01 -0.814563D-01 -0.191096D+02
      6  -0.201034D+01  0.403055D+01  0.898873D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145101D+03      0.215017D+02      0.239239D+02
   aniso      0.359406D+02      0.532585D+01      0.592581D+01
   xx         0.157108D+03      0.232810D+02      0.259036D+02
   yx        -0.357379D-02     -0.529581D-03     -0.589239D-03
   yy         0.157054D+03      0.232730D+02      0.258947D+02
   zx        -0.101475D-03     -0.150370D-04     -0.167309D-04
   zy         0.399099D-02      0.591404D-03      0.658026D-03
   zz         0.121140D+03      0.179511D+02      0.199733D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145101D+03      0.215017D+02      0.239239D+02
   aniso      0.359406D+02      0.532585D+01      0.592581D+01
   xx         0.149121D+03      0.220975D+02      0.245868D+02
   yx         0.144677D+02      0.214390D+01      0.238541D+01
   yy         0.130858D+03      0.193911D+02      0.215756D+02
   zx         0.374307D+01      0.554665D+00      0.617148D+00
   zy        -0.674479D+01     -0.999475D+00     -0.111207D+01
   zz         0.155323D+03      0.230165D+02      0.256093D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K13-17-01\Freq\RB3LYP\Gen\C6H24N6Rh1(3+)\PIERPA\16-Jul-20
 21\0\\#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SC
 F=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseu
 do=Read\\ROA calculations.\\3,1\C,-1.888503,-2.283626,0.346441\C,-2.70
 1393,-1.217376,-0.346813\N,-1.764324,-0.3371,-1.129343\Rh,0.000137,-0.
 00029,0.000013\N,-0.791312,-1.61296,1.128524\N,1.791723,0.121006,1.129
 851\C,2.921909,-0.491806,0.347289\C,2.406559,-1.729107,-0.346832\N,1.1
 75543,-1.358466,-1.129476\N,0.590741,1.696308,-1.128278\C,0.295422,2.9
 4786,-0.346258\C,-1.034809,2.775943,0.34602\N,-1.002175,1.4908,1.12883
 5\H,2.129415,-2.50043,0.372568\H,3.162755,-2.156588,-1.006173\H,3.2743
 26,0.248135,-0.372189\H,3.757967,-0.727492,1.006648\H,1.10092,3.093573
 ,0.374343\H,0.288614,3.81642,-1.005696\H,-1.850762,2.711245,-0.37467\H
 ,-1.249471,3.617991,1.004939\H,-3.22973,-0.591602,0.373293\H,-3.450537
 ,-1.657262,-1.006036\H,-1.425273,-2.959234,-0.37343\H,-2.511055,-2.889
 142,1.006049\H,-0.108747,-2.318114,1.404588\H,-1.178462,-1.274245,2.00
 966\H,-2.263642,0.507788,-1.405377\H,-1.540523,-0.800167,-2.010547\H,-
 1.954196,1.251545,1.404096\H,-0.516258,1.657364,2.010418\H,1.572245,1.
 706926,-1.403733\H,0.078341,1.733532,-2.009807\H,2.059772,1.064893,1.4
 06565\H,1.692659,-0.384485,2.010616\H,0.694313,-2.213552,-1.406187\H,1
 .464666,-0.932467,-2.01039\\Version=ES64L-G16RevA.03\State=1-A\HF=-681
 .636092\RMSD=1.714e-09\RMSF=2.381e-05\ZeroPoint=0.3527177\Thermal=0.36
 77047\Dipole=0.000157,0.0002848,-0.0000734\DipoleDeriv=0.3108168,0.101
 7234,0.1099901,0.0482767,0.1382269,0.0954391,0.2814728,0.2603419,0.153
 7352,0.1884808,0.081647,-0.121195,0.1352554,0.2605327,-0.080783,-0.325
 5169,-0.2025566,0.153869,-0.4674757,-0.1531858,-0.0913539,-0.0804824,-
 0.1715507,0.0944077,-0.168732,0.0670734,-0.2343339,1.1329731,0.0000647
 ,-0.0001859,0.0001235,1.1314149,-0.000206,-0.0003848,-0.0000533,0.6232
 368,-0.2517615,-0.1396624,-0.0669621,-0.2125896,-0.3873644,0.113215,-0
 .020142,0.1802177,-0.2338642,-0.505654,0.0655157,-0.0643246,-0.006939,
 -0.1329848,-0.1143561,-0.1463759,-0.1074775,-0.2343789,0.2466037,-0.08
 52927,-0.1378229,-0.1388104,0.2024971,0.0473367,-0.3663588,0.1132562,0
 .1538088,0.336339,-0.0496718,0.1307012,0.0037611,0.1126467,-0.0644304,
 0.3384483,-0.180337,0.1538479,-0.346952,0.1502593,-0.0360849,0.2228057
 ,-0.291753,-0.1262723,0.0265608,-0.1796502,-0.2343127,-0.1444528,-0.10
 6052,0.1275483,-0.0333469,-0.4948698,0.0320813,0.1424384,0.1125608,-0.
 233867,0.1486597,-0.1125551,-0.0094658,-0.058827,0.3003819,0.1452917,-
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 THE MOST INCOMPREHENSIBLE THING ABOUT THE WORLD
 IS THAT IT IS COMPREHENSIBLE. -- A. EINSTEIN
 Job cpu time:       0 days 17 hours  9 minutes 13.6 seconds.
 Elapsed time:       0 days  2 hours  9 minutes 16.3 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 15:19:23 2021.
